Category: benzoxazole

Rattanangkool, Eakkaphon; Sukwattanasinitt, Mongkol; Wacharasindhu, Sumrit published the artcile< Organocatalytic Visible Light Enabled SNAr of Heterocyclic Thiols: A Metal-Free Approach to 2-Aminobenzoxazoles and 4-Aminoquinazolines>, Safety of 5-Fluorobenzo[d]oxazole-2-thiol, the main research area is benzoxazolamine quinazolinamine photochem chemoselective preparation; photochem substitution benzoxazolethiol quinazolinethiol aliphatic amine Rose Bengal catalyst; aerobic photochem substitution benzoxazolethiol quinazolinethiol aliphatic amine; flow microreactor photochem substitution benzoxazolethiol quinazolinethiol aliphatic amine.

2-Benzoxazolethiols and 4-quinazolinethiol (generated from 4-quinazolinol with Lawesson’s reagent) underwent chemoselective photochem. nucleophilic substitution reactions with aliphatic amines in the presence of Rose Bengal under white LED irradiation to yield 2-aminobenzoxazoles and 4-aminoquinazolines in 65-87% yields. The substitution of 2-mercaptobenzothiazole with 1-butanamine was performed in a flow microreactor at 10-20 mM to give the corresponding amine in 33-100% conversion (depending on flow rate).

Journal of Organic Chemistrypublished new progress about Aliphatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 13451-78-0 belongs to class benzoxazole, and the molecular formula is C7H4FNOS, Safety of 5-Fluorobenzo[d]oxazole-2-thiol.

Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Murray, Christopher W.; Berdini, Valerio; Buck, Ildiko M.; Carr, Maria E.; Cleasby, Anne; Coyle, Joseph E.; Curry, Jayne E.; Day, James E. H.; Day, Phillip J.; Hearn, Keisha; Iqbal, Aman; Lee, Lydia Y. W.; Martins, Vanessa; Mortenson, Paul N.; Munck, Joanne M.; Page, Lee W.; Patel, Sahil; Roomans, Susan; Smith, Kirsten; Tamanini, Emiliano; Saxty, Gordon published the artcile< Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors>, HPLC of Formula: 13451-78-0, the main research area is DDR inhibitor antitumor oral; back to front kinase design; discoidin domain receptor; fragment-based drug design.

The DDR1 and DDR2 receptor tyrosine kinases are activated by extracellular collagen and have been implicated in a number of human diseases including cancer. We performed a fragment-based screen against DDR1 and identified fragments that bound either at the hinge or in the back pocket associated with the DFG-out conformation of the kinase. Modeling based on crystal structures of potent kinase inhibitors facilitated the “”back-to-front”” design of potent DDR1/2 inhibitors that incorporated one of the DFG-out fragments. Further optimization led to low nanomolar, orally bioavailable inhibitors that were selective for DDR1 and DDR2. The inhibitors were shown to potently inhibit DDR2 activity in cells but in contrast to unselective inhibitors such as dasatinib, they did not inhibit proliferation of mutant DDR2 lung SCC cell lines.

ACS Medicinal Chemistry Letterspublished new progress about Conformation. 13451-78-0 belongs to class benzoxazole, and the molecular formula is C7H4FNOS, HPLC of Formula: 13451-78-0.

Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Liu, Min; Zeng, Meng-Tian; Xu, Wan; Wu, Li; Dong, Zhi-Bing published the artcile< Selective synthesis of 2-aminobenzoxazoles and 2-mercaptobenzoxazoles by using o-aminophenols as starting material>, Name: 5-Fluorobenzo[d]oxazole-2-thiol, the main research area is aminobenzoxazole mercaptobenzoxazole preparation aminophenol dithiocarbamate TMTD.

2-Aminobenzoxazoles and 2-mercaptobenzoxazoles were selectively synthesized by treating o-aminophenols with dithiocarbamates and tetramethylthiuram disulfide (TMTD), resp. With the promotion of NaH/CuI, the reaction of o-aminophenols with dithiocarbamates gave 2-aminobenzoxazoles with good yield (70-92%) in one pot manner, and 2-mercaptobenzoxazoles were synthesized (yield: 55-80%) in the presence of K2CO3 by treating o-aminophenols with tetramethylthiuram disulfide (TMTD). The feature of this method includes good to excellent yield, easy performance and broad substrate scope, which makes the protocol practical and attractive in the preparation of some potential pharmaceutically active compounds

Tetrahedron Letterspublished new progress about Amino phenols Role: RCT (Reactant), RACT (Reactant or Reagent). 13451-78-0 belongs to class benzoxazole, and the molecular formula is C7H4FNOS, Name: 5-Fluorobenzo[d]oxazole-2-thiol.

Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Varun, Begur Vasanthkumar; Gadde, Karthik; Prabhu, Kandikere Ramaiah published the artcile< Sulfenylation of β-Diketones Using C-H Functionalization Strategy>, Recommanded Product: 5-Fluorobenzo[d]oxazole-2-thiol, the main research area is bezoxazolethione diketone sulfenylation cross dehydrogenative coupling; bezoxazolyl sulfenylated diketone preparation.

Sulfenylation of β-diketones is challenging as β-diketones undergo deacylation after sulfenylation in the reaction medium. The sulfenylation of β-diketones without deacylation under metal-free conditions at ambient temperature via a cross dehydrogenative coupling (CDC) strategy is reported. The resultant products can be further manipulated to form α,α-disubstituted β-diketones and pyrazoles.

Organic Letterspublished new progress about Diketones, 1,3-diketones Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 13451-78-0 belongs to class benzoxazole, and the molecular formula is C7H4FNOS, Recommanded Product: 5-Fluorobenzo[d]oxazole-2-thiol.

Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Yang, Hongpeng; Chen, Lei; Zhang, Shouguo; Wang, Gang; Chen, Tingting; Xu, Jing; Peng, Tao; Wang, Lin; Hu, Liming published the artcile< Synthesis and Application of a Thiol Photolabile Protecting Group>, Quality Control of 13451-78-0, the main research area is nitrophenylbutanyl hydroxymethyl carbamate preparation photolabile protecting group.

A photolabile protecting group (PLPG) for thiol that can be rapidly photolyzed by irradiation at 365 nm to release thiol groups within 100 s. was successfully designed and synthesized. The photolytic reaction has mild conditions and avoids acid cleavage, leading to good yields with no side reactions as validated by HPLC. The PLPG has good acid/alkali tolerance.

ChemistrySelectpublished new progress about Aromatic thiols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 13451-78-0 belongs to class benzoxazole, and the molecular formula is C7H4FNOS, Quality Control of 13451-78-0.

Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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