Tag: M.W:100-200

Reference of 2-Mercapto-5-methylbenzimidazole. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Mercapto-5-methylbenzimidazole, is researched, Molecular C8H8N2S, CAS is 27231-36-3, about Thermodynamic and electrochemical properties of imidazole-2-thiols (imidazole-2(3H)-thiones). Author is Po, Henry N.; Shariff, Zarila; Masse, Jeffrey A.; Freeman, Fillmore; Keindl-Yu, Monica C..

The oxidation and reduction potentials for eight imidazole-2-thiols [imidazole-2-thio (1a), 1-methyl- (1b), 4,5-dimethyl- (1c), 1,4,5-trimethyl- (1d), 4,5-diphenyl- (1e), benz- (1f), 5-methylbenz- (1g), and 5-nitrobenzimidazole-2-thiol (1h)] have been determined in ethanenitrile-hydrogen chloride solution Substituent effects on E(ox) are observed and are discussed. The pKa’s for thiols 1a, 1b, and 1c have been determined as a function of pH in buffer solutions at five temperatures and constant ionic strength of 0.10M using UV spectroscopy. The ΔH0 (kJ/mol) and ΔS° (J mol-1 K-1) for imidazole-2-thiol (1a), 1-methylimidazole-2-thiol (1b), and 4,5-dimethylimidazole-2-thiol (1c) are 38.2 and -92.9, 34.1 and -107.5, and 45.2 and -80.3, resp.

This compound(2-Mercapto-5-methylbenzimidazole)Reference of 2-Mercapto-5-methylbenzimidazole was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Qiu, Qi-Ming; Liu, Min; Li, Zhong-Feng; Jin, Qiong-Hua; Huang, Xu; Zhang, Zhen-Wei; Zhang, Cun-Lin; Meng, Qing-Xuan researched the compound: 2-Mercapto-5-methylbenzimidazole( cas:27231-36-3 ).SDS of cas: 27231-36-3.They published the article 《Synthesis, structure, terahertz spectroscopy and luminescent properties of copper(I) complexes with mercaptan ligands and triphenylphosphine》 about this compound( cas:27231-36-3 ) in Journal of Molecular Structure. Keywords: preparation copper mercaptothiazole phosphine complex; crystal structure copper mercaptothiazole phosphine complex; fluorescence copper mercaptothiazole phosphine complex. We’ll tell you more about this compound (cas:27231-36-3).

The reactions of Cu(I) halides with PPh3 (PPh3) and mercaptan ligand [2-mercapto-6-nitrobenzothiazole (HMNBT), 2-amino-5-mercapto-1,3,4-thiadiazole (HAMTD) and 2-mercapto-5-methyl-benzimidazole (MMBD)] yielded seven complexes, [CuCl(HMNBT)(PPh3)2] (1), [CuX(HMNBT)(PPh3)]2 (X = Cl, Br) (2-3), [Cu(MNBT)(HMNBT)(PPh3)2] (4), [CuBr(HAMTD)(PPh3)2]·MeOH (5) and [CuX(MMBD)(PPh3)2]·2MeOH (X = Br, I) (6-7). These complexes were characterized by elemental anal., x-ray diffraction, 1H NMR and 31P NMR spectroscopy. In these complexes the mercaptan ligands act as monodentate or bridged ligand with S as the coordination atom. In complexes 1 and 4, H bonds CH···X and weak interactions CH···π give chains and 2-dimensional network, resp., while complexes 2 and 3 are dinuclear. In 5-7, intramol. H bonds link the [CuX(thione)(PPh3)2] mols. and the solvated MeOH mols. into centrosym. dimers. Complexes 1-5 represent 1st Cu(I) halide complexes of HMNBT and HAMTD. The complexes 1, 5, 6 and 7 exhibit interesting fluorescence in the solid state at room temperature and their terahertz (THz) time-domain spectroscopy was also studied.

This compound(2-Mercapto-5-methylbenzimidazole)SDS of cas: 27231-36-3 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Recommanded Product: 3194-15-8. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-(Furan-2-yl)propan-1-one, is researched, Molecular C7H8O2, CAS is 3194-15-8, about Synthesis of thienyl and furyl 1,2,3-selenadiazole. Author is Kurban, Osman; Minawar, Yemenaishan.

A method for the synthesis of thienyl and furyl 1,2,3-selenadiazoles I (R = H, Me, X = O, S) is reported. Four new compounds were prepared by this method. The compounds were characterized by IR, 1H NMR, and elemental anal.

This compound(1-(Furan-2-yl)propan-1-one)Recommanded Product: 3194-15-8 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(Furan-2-yl)propan-1-one(SMILESS: O=C(C1=CC=CO1)CC,cas:3194-15-8) is researched.Reference of Tris(2,2′-bipyridine)ruthenium bis(hexafluorophosphate). The article 《Additive-Free Isomerization of Allylic Alcohols to Ketones with a Cobalt PNP Pincer Catalyst》 in relation to this compound, is published in Chemistry – A European Journal. Let’s take a look at the latest research on this compound (cas:3194-15-8).

Catalytic isomerization of allylic alcs. in ethanol as a green solvent was achieved by using air and moisture stable cobalt (II) complexes in the absence of any additives. Under mild conditions, the cobalt PNP pincer complex substituted with Ph groups on the phosphorus atoms appeared to be the most active. High rates were obtained at 120°, even though the addition of one equivalent of base increases the speed of the reaction drastically. Although some evidence was obtained supporting a dehydrogenation-hydrogenation mechanism, it was proved that this is not the major mechanism. Instead, the cobalt hydride complex formed by dehydrogenation of ethanol was capable of double-bond isomerization through alkene insertion-elimination.

This compound(1-(Furan-2-yl)propan-1-one)Electric Literature of C7H8O2 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Synthetic anticonvulsants. Preparation and properties of some benzoxazoles》. Authors are Bywater, W. G.; Coleman, W. R.; Kamm, Oliver; Merritt, H. Houston.The article about the compound:2-Ethylbenzo[d]oxazolecas:6797-13-3,SMILESS:CCC1=NC2=CC=CC=C2O1).Quality Control of 2-Ethylbenzo[d]oxazole. Through the article, more information about this compound (cas:6797-13-3) is conveyed.

The following benzoxazoles were prepared by heating mol. equivalents of tech. o-H2NC6H4OH and the appropriate acid, amide, or nitrile to boiling for several hrs.; the reaction mixture was distilled at atm. pressure and the crude product, if liquid, was dissolved in petr. ether and washed with 10% NaOH, which destroyed the characteristic fluorescence of the crude material. The solids were pulverized and washed with 10% alkali and H2O before crystallizing from dilute EtOH or Me2CO. The m.ps. and b.ps. are corrected AmCO2H gives 67.2% of 2-amylbenzoxazole, b2 125°, b. 264-6°; Et2CHCO2H gives 44.3% of the (1-ethylpropyl) analog, b1 110°, b. 250-2°; caprylic acid yields 61.5% of the heptyl analog, b4 174-5°, b. 294-8°; lauramide yields 30% of the hendecyl analog, b1 179-84°, b. 347-53°, m. 32-3°; oleic acid gives 38.6% of the 8-heptadecenyl analog, b2 248-9°; Ph2CHCO2H yields 55.1% of the (diphenylmethyl) analog, m. 69.5-70.5°; (CH2CO2H)2 gives 44.5% of 2,2′-ethylenedibenzoxazole, m. 194.5-5.5°. The following yields (%) were obtained of known 2-alkyl derivatives of benzoxazole: Et 50, hexyl 71.4, pentadecyl 26, heptadecyl 27.7, Ph 33.3, PhCH2 82.4 (from PhCH2CO2H), 40.6 (from PhCH2CN), p-ClC6H4 30.5, HO 35, styryl 4 [in this reaction a by-product b14 87-9° (HCl salt, m. 154-5°, N 8.2%, Cl 20.38%)]. Benzoxazolone results in 35% yield by fusing CO(NH2)2 with tech. o-H2NC6H4OH at 200°; BuNHCONH2 gives 10.2%; urethan gives 53%. Anticonvulsant activity [A, if the convulsive threshold is elevated to more than 50 ma., B, if increased by 20-30 ma. 2 hrs. after treatment; the figure is the dose (g./kg.) at which the rating was established] of 2-substituted benzoxazoles was determined as follows: Me, A, 0.5; Et, B, 0.37; Am, B, 0.15; (1-ethylpropyl), B, 0.25; hexyl, B, 1.0; heptyl, A, 0.38; pentadecyl, B, 0.41; benzyl, A, 0.3; benzimidazole, A, 0.47; dilantin Na, A, 0.05. Toxicity data (LD40) in g./kg. (white mice, orally): HO 0.94, Me 1.10, Et 1.0, Am 1.3, (1-ethylpropyl) 1.3, hexyl 2.75, heptyl 2.3, pentadecyl 5+, heptadecyl 10.5+, Ph 5+, benzyl 1.75, (p-chlorophenyl) 6, (diphenylmethyl) 0.05, 2-aminobenzimidazole 0.60, dilantin Na 0.5.

This compound(2-Ethylbenzo[d]oxazole)Quality Control of 2-Ethylbenzo[d]oxazole was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Name: 2-Ethylbenzo[d]oxazole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Ethylbenzo[d]oxazole, is researched, Molecular C9H9NO, CAS is 6797-13-3, about Metal free montmorillonite KSF clay catalyzed practical synthesis of benzoxazoles and benzothiazoles under aerobic conditions. Author is Kummari, Vijaya Babu; Chiranjeevi, Kalavakuntla; Suman Kumar, Alleni; Aravind Kumar, Rathod; Yadav, Jhillu Singh.

An efficient method for the synthesis of benzoxazoles and benzothiazoles I [R = Cl, Me, NO2, t-Bu; R1 = Me, Et, i-Pr; X = O, S] via montmorillonite KSF clay catalyzed condensation reaction of β-diketones and 2-aminophenols or 2-aminothiophenols resp. was reported. The efficiency of the reaction reflected from the wide substrate scope with electronic differentiation on aryls. The reaction was metal free and proceeded without the exclusion of air or moisture, and further the catalyst could be recycled up to 3-5 catalytic cycles.

This compound(2-Ethylbenzo[d]oxazole)Name: 2-Ethylbenzo[d]oxazole was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Benzoxazole derivatives》. Authors are Skraup, Siegfried; Moser, Marie.The article about the compound:2-Ethylbenzo[d]oxazolecas:6797-13-3,SMILESS:CCC1=NC2=CC=CC=C2O1).Category: benzoxazole. Through the article, more information about this compound (cas:6797-13-3) is conveyed.

cf. C. A. 14, 926. In the continuation of the study of the opening of the ring of benzoxazole (A) and its homologs a number of interesting observations were made which seem to be characteristic of the A system. All attempts to prepare benzoxazole-2-nitrile from the 2-NH2 derivative through the diazonium compound failed; after the treatment with HNO2, the amine does, to be sure, give a distinct violet color with R-salt, but the greater part of the amine is always recovered unchanged. A decisive proof of the aromatic nature of A derivatives, however, is found in the oxidation of 2-methyl-benzoxazole to benzoxazole-2-carboxylic acid (B), which can be obtained in better yield by the oxidation of 2-o-hydroxyphenylbenzoxazole (C). Instead of reacting normally to form a ketone with Grignard reagents, the chloride of B to a great extent, the anilide exclusively, exerts an energetic reducing action. The chloride with PhMgBr gives chiefly benzoxazylmethyl alc. (D), together with a little benzoxazyldiphenylcarbinol (E), probably formed by combination of a 2nd mol. of the PhMgBr with the primary intermediate ketone; E in concentrated H2SO4 exhibits deep red halochromism phenomena, another fact indicative of the aromatic nature of the A derivatives The anilide with MeMgI gives exclusively benzoxazole-2-aldehyde anil (F), undoubtedly formed by reduction of the tautomeric form O.C6H4.N:CC(OH):NPh of the anilide; contrary to other Schiff bases, F is hardly attacked by acids but easily decomposed into the aldehyde and PhNH2 by alkalies. The desired benzoxazyl Ph ketone (G) was finally obtained from its oxime which in turn was prepared from 2-benzylbenzoxazole (H). The velocity of hydrolysis of a further number of 2-substituted derivatives of A has been measured; the reaction is apparently monomol. (the H2O being present in excess) and in all but the Bz and PhCH2 derivatives the velocity constants found agreed with those calculated for a monomol. reaction. Below are given, after the substituent, the time in min. and the velocity constant (0.4343k): At 19°: H, 1, 0.0915. At 61°: PhCH2, 29, 0.0094; 120, 0.0031; Et, 30, 0.0033; 128, 0.0031; Me, 60, 0.00279; 120, 0.00279. At 108°: Me, 5, 0.0926; 20, 0.0848; m-O2NC6H4, 372, 0.0059; Bz, 58, 0.0047; 121, 0.0023; Ph, 134, 0.0019; 360, 0.0017; p-MeOC6H4, 371, 0.00067; 887, 0.00066; β-naphthyl, 479, 0.00058; 936, 0.00049; α-naphthyl, 436, 0.00024; 1024, 0.00019; o-HOC6H4, 960, 0.00024; 2450, 0.00013; p-O2NC6H4, 1100, 0.00010; 2615, 0.00005. The sharp difference between aliphatic and aromatic radicals, which had already been pointed out, is clear. Also, the velocity of hydrolysis of the Et is somewhat greater than that of the Me derivative, i. e., the valence demand (see S. and Freundlich C. A. 16, 3646) of Et is smaller than that of Me, in accordance with Meerwein’s observation that alkyls with an odd number of C atoms have a greater affinity demand than those with an even number The great difference between the unsubstituted A and its Me homolog shows that in this respect (valence demand), also, H occupies a peculiar position, which certainly is closely connected with the differing properties of the initial members of homologous series (HCO2H, HCHO, differences between aldehydes and ketones, etc.). The temperature coefficient of the reaction as determined for the Me derivative (2.07 according to the Berthelot, 4015 according to the Arrhenius formula) is strikingly small as compared with those usually found for apparently monomol. reactions. C, obtained in 53% yield from equimol, amounts of and o-H2NC6H4OH and o-HOC6H4CONH2 fused together until the temperature rises to 200° and NH3 is no longer evolved (about 1.5 h.), long needles with a pink tinge from alc., m. 123°, soluble in organic solvents generally with a strong fluorescence, in AcOH with red-violet color, difficulty in alkali with violet fluorescence; in KOH with KMnO4 on the H2O-bath it gives 48% of the potassium salt, golden yellow leaflets, of B, white precipitate, m. 85°, loses CO2 with formation of A on the H2O-bath, also when heated with 20% HCl but not with boiling alkalies. Chloride, obtained in 93.7% yield from the K salt and SOCl2 on the H2O -bath, m. 85°, has an unpleasant penetrating odor; 4 g. in Et2O cautiously treated with the calculated amount of PhMgBr, boiled 1 h. and allowed to stand overnight yields a product separated by means of cold alc. into 0.3 g. E, m. 157°, and D (obtained exclusively if the PhMgBr is added to a hot solution of the chloride), m. 125°, b14 200-30°. Anilide of B, m. 156-7°. F (5 g. from 10 g. of the anilide with MeMgI), m. 153°. Refluxed 1 h. in alc. with 3.7 g. ONC6H4NMe2 and 3 cc. of 35% NaOH, 5 g. H gives 5 g. of the compound O.C6H4.N:CCPh: NC6H4NMe2, fine needles from alc., begins to decompose 150°. The compound O.C6H4.N:CCPh:NNHC6H3(NO2)2 (1.5 g. from 1.5 g. H in AcOH allowed to stand 12 h. with 2,4-(O2N)2C6H3N:NSO4H), yellow crystals from PhMe, m. 140°. Oxime of G (18 g. from 20 g. H in cold Et2O, 10 g. NaOEt and 15 g. AmNO2. shaken several hrs., filtered, dissolved in NaOH, freed from AmOH with Et2O and precipitated with CO2), crystals from 50% alc., m. 193°; 4 g. heated 2 h. at 180-90° in a sealed tube with 40 g. AcOH (dehydrated by freezing twice and distilling over P2O5), gives 2-2.5 g. G, soluble with golden yellow color in concentrated H2SO4 or HCl, reprecipitated by H2O. 2-Ethylbenzoxazole, from o-H2NC6H4OH and EtCN heated 24 h. at 205-10°, b. 210°, d20 1.081. 2-β-Naphthylbenzoxazole, from o-H2NC6H4OH and β-C10H7CN boiled 8 h., m. 115-6°, fluoresces strongly in 2-p-Nitrophenylbenzoxazole (1 g. from H2NC6H4OH and 5 g. O2NC6H4CN heated 1 h. at 135-40° and sublimed through filter paper), long needles with pink tinge from CHCl3, m. 260°, soluble in hydrocarbons with intense green fluorescence. The o- and m-compounds cannot be prepared in this way; that a derivative of A is formed is indicated by the intense green fluorescence of the solution of the product in petr. ether, which, however, dissolves but traces of it; vacuum distillation leads to decomposition and only traces of a high boiling product are obtained; raising the temperature of the condensation reaction or using a higher boiling solvent (cumene, PhCl) also results in decomposition The m-compound was prepared by Ransom’s method (Am. Chem. J. 23, 24 (1900)) (yield, 4.5%). All the hydrolysis velocity measurements were made with 20.2% HCl.

This compound(2-Ethylbenzo[d]oxazole)Category: benzoxazole was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Liu, Xing; Liu, Min; Xu, Wan; Zeng, Meng-Tian; Zhu, Hui; Chang, Cai-Zhu; Dong, Zhi-Bing published an article about the compound: 2-Mercapto-5-methylbenzimidazole( cas:27231-36-3,SMILESS:SC1=NC2=CC(C)=CC=C2N1 ).Formula: C8H8N2S. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:27231-36-3) through the article.

An efficient and practical method for the one-step synthesis of benzothiazole-2-thiols I [R = H, 5-Cl; X = S], benzoxazole-2-thiols I [R = H, 5-Me, 5-Br, etc.; X = O] and benzimidazoline-2-thiones such as II by cyclization of 2-aminothiophenols, 2-aminophenols, and 1,2-phenylenediamines with tetramethylthiuram disulfide (TMTD) in water was described. This method was also used for the synthesis of 4,5-dihydro-thiazole-2-thiol, 4,5-dihydro-oxazole-2-thiol and 1,3-ethylenethiourea from their corresponding aliphatic amines and (TMTD). The features of this method included metal/ligand-free, excellent yield, short reaction time and broad substrate scope. The method provided a facile and convenient preparation of some potentially biol. active compounds

This compound(2-Mercapto-5-methylbenzimidazole)Formula: C8H8N2S was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2-Mercapto-5-methylbenzimidazole, is researched, Molecular C8H8N2S, CAS is 27231-36-3, about 2-(3-Bromo-1-phenylsulfonyl-RH-indol-2-ylmethylsulfanyl)-6-methyl-1H-benzimidazole.Computed Properties of C8H8N2S.

In the title compound, C23H18BrN3O2S2, the sulfonyl-bound Ph ring and benzimidazole moiety are nearly orthogonal to the indole ring system. The mol. structure is stabilized by C-H···Br and C-H···O H bonding interactions. In the crystal structure, glide-related mols. are linked by N-H···N H bonds to form chains along the c axis and adjacent chains are interlinked by C-H···π interactions into a three-dimensional network. Crystallog. data are given.

This compound(2-Mercapto-5-methylbenzimidazole)Computed Properties of C8H8N2S was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2-Mercapto-5-methylbenzimidazole, is researched, Molecular C8H8N2S, CAS is 27231-36-3, about In vitro metabolism of 4-methyl- and 5-methyl-2-mercaptobenzimidazole, thyrotoxic and hepatotoxic rubber antioxidants, in rat liver microsomes.Application In Synthesis of 2-Mercapto-5-methylbenzimidazole.

The metabolism of 4-methyl-2-mercaptobenzimidazole (4-MeMBI), 5-methyl-2-mercaptobenzimidazole (5-MeMBI), and 2-mercaptobenzimidazole (MBI) was examined in vitro in rat liver microsomes. The test chems. were incubated in the presence of liver microsomes from male Sprague-Dawley rats, and their metabolism was analyzed by HPLC. The metabolism amount increased in an incubation time-dependent manner, and was similar among the test chems. SKF-525A, a non-selective inhibitor of cytochrome P 450 (CYP) enzymes, decreased the metabolic rate of all the test chems., indicating the involvement of liver microsomal CYP enzymes. When liver microsomes from rats treated with CYP-inducers (β-naphthoflavone, phenobarbital, and isoniazid) were used, 4-MeMBI was more decreased than 5-MeMBI, particularly in the phenobarbital-treated group. These results, together with the reported inducibility of the drug-metabolizing activity by the test chems., partly explained the counteraction in the toxic effects between 4-MeMBI and 5-MeMBI in the in vivo study.

This compound(2-Mercapto-5-methylbenzimidazole)Application In Synthesis of 2-Mercapto-5-methylbenzimidazole was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem