Day: March 31, 2022

Lazer, Edward S.; Matteo, Martha R.; Possanza, Genus J. published the article 《Benzimidazole derivatives with atypical antiinflammatory activity》. Keywords: benzimidazole trifluoroethylsulfonyl preparation antiinflammatory; antiinflammatory trifluoroethylsulfonylbenzimidazole.They researched the compound: 2-Mercapto-5-methylbenzimidazole( cas:27231-36-3 ).Name: 2-Mercapto-5-methylbenzimidazole. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:27231-36-3) here.

The 2-[(2,2,2-trifluorooethyl)sulfonyl]-1H-benzimidazoles I (R = H, 5-Me, 5-Cl, 5-F, 5-Et, 5-Me-6-F, 5,6-Me2, 5-MeO2C, 5-CF3, 5-Pr) were prepared by alkylation of the corresponding 2-mercaptobenzimidazole followed by oxidation

There is still a lot of research devoted to this compound(SMILES：SC1=NC2=CC(C)=CC=C2N1)Name: 2-Mercapto-5-methylbenzimidazole, and with the development of science, more effects of this compound(27231-36-3) can be discovered.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Reference of (1-(tert-Butoxycarbonyl)-6-fluoro-1H-indol-2-yl)boronic acid. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (1-(tert-Butoxycarbonyl)-6-fluoro-1H-indol-2-yl)boronic acid, is researched, Molecular C13H15BFNO4, CAS is 1000068-26-7, about Discovery and structure-activity relationship studies of indole derivatives as liver X receptor (LXR) agonists. Author is Bakir, Farid; Kher, Sunil; Pannala, Madhavi; Wilson, Norma; Nguyen, Trang; Sircar, Ila; Takedomi, Kei; Fukushima, Chiaki; Zapf, James; Xu, Kui; Zhang, Shao-Hui; Liu, Juping; Morera, Lisa; Schneider, Lisa; Sakurai, Naoki; Jack, Rick; Cheng, Jie-Fei.

A structurally novel liver X receptor (LXR) agonist (I) was identified from internal compound collection utilizing the combination of structure-based virtual screening and high-throughput gene profiling. I increased ABCA1 gene expression by eightfold and SREBP1c by threefold in differentiated THP-1 macrophage cell lines. Confirmation of its agonistic activity against LXR was obtained in the co-factor recruitment and reporter transactivation assays. Structure-activity relation studies on I are described.

There is still a lot of research devoted to this compound(SMILES：C(=O)(OC(C)(C)C)[N]2C1=CC(=CC=C1C=C2B(O)O)F)Reference of (1-(tert-Butoxycarbonyl)-6-fluoro-1H-indol-2-yl)boronic acid, and with the development of science, more effects of this compound(1000068-26-7) can be discovered.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Synthetic Route of C7H8O2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-(Furan-2-yl)propan-1-one, is researched, Molecular C7H8O2, CAS is 3194-15-8, about Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee. Author is Risticevic, Sanja; Carasek, Eduardo; Pawliszyn, Janusz.

Increasing consumer awareness of food safety issues requires the development of highly sophisticated techniques for the authentication of food commodities. The food products targeted for falsification are either products of high com. value or those produced in large quantities. For this reason, the present investigation is directed towards the characterization of coffee samples according to the geog. origin. The conducted research involves the development of a rapid headspace solid-phase microextraction (HS-SPME)-gas chromatog.-time-of-flight mass spectrometry (GC-TOFMS) method that is utilized for the verification of geog. origin traceability of coffee samples. As opposed to the utilization of traditional univariate optimization methods, the current study employs the application of multivariate exptl. designs to the optimization of extraction-influencing parameters. Hence, the two-level full factorial first-order design aided in the identification of two influential variables: extraction time and sample temperature The optimum set of conditions for the two variables was 12 min and 55 °C, resp., as directed by utilization of Doehlert matrix and response surface methodol. The high-throughput automated SPME procedure was completed by implementing a single divinylbenzene/carboxen/polydimethylsiloxane (DVB/CAR/PDMS) 50/30 μm metal fiber with excellent durability properties ensuring the completion of overall sequence of coffee samples. The utilization of high-speed TOFMS instrument ensured the completion of one GC-MS run of a complex coffee sample in 7.9 min and the complete list of benefits provided by ChromaTOF software including fully automated background subtraction, baseline correction, peak find and mass spectral deconvolution algorithms was exploited during the data evaluation procedure. The combination of the retention index (RI) system using C8-C40 alkanes and the mass spectral library search was utilized for the confirmation of analyte identity in the reference authentic Brazilian coffee sample. The semi-quant. results were then submitted to statistical evaluation, namely principal component anal. (PCA) for the establishment of geog. origin discriminations.

There is still a lot of research devoted to this compound(SMILES：O=C(C1=CC=CO1)CC)Synthetic Route of C7H8O2, and with the development of science, more effects of this compound(3194-15-8) can be discovered.

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 503538-69-0, is researched, Molecular C38H24F4O4P2, about Catalytic Enantioselective Alkylative Aldol Reaction: Efficient Multicomponent Assembly of Dialkylzincs, Allenic Esters, and Ketones toward Highly Functionalized δ-Lactones with Tetrasubstituted Chiral Centers, the main research direction is lactone pyranone dihydro asym synthesis; ketone stereoselective multicomponent alkylative aldol dialkylzinc allenoate.Safety of (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole.

A general catalytic asym. alkylative aldol reaction is described as a new entry to the catalytic asym. multicomponent reaction (CAMCR). Highly functionalized δ-lactones I (R1 = Me2CHCH2, H2C:CHCH2CH2, Ph, cyclohexyl, 1-cyclohexenyl, 4-BrC6H4, 4-MeOC6H4, R2 = Me; R1R2 = 1,2,3,4-tetrahydronaphthalene-1,1-diyl; R3 = Me, Et, Me2CH, n-Bu) were produced in the presence of a catalytic amount of the Cu(OAc)2-DIFLUORPHOS complex through three-component assembly of dialkylzincs R32Zn, allenic ester H2C:CHCO2Et, and unactivated ketones R1COR2. This CAMCR constructs two C-C bonds and one tetrasubstituted chiral center simultaneously. Conjugate addition of alkylcopper species to an allenic ester produced highly active copper enolate in situ, and the successive asym. aldol addition to ketones followed by lactonization afforded the desired products. The addition of 4A mol. sieves and a Lewis base (Ph2S:O, DMSO, or HMPA) is important for obtaining a high yield, with suppression of the undesired α-addition pathway. Control/crossover experiments suggest that the addition of a Lewis base facilitated the retro-aldol reaction of the α-adducts (proofreading effect). The ketone and copper enolate generated through the retro-aldol reaction were converted to the desired lactone through the γ-aldol pathway, which was trapped by irreversible lactone formation.

There is still a lot of research devoted to this compound(SMILES：FC1(F)OC2=CC=C(P(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=C6OC(F)(F)OC6=CC=C5P(C7=CC=CC=C7)C8=CC=CC=C8)=C2O1)Safety of (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole, and with the development of science, more effects of this compound(503538-69-0) can be discovered.

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 《Furfuryl- and thenylalkylamines from Schiff bases》. Authors are Emling, Bertin L.; Beatty, J. E.; Stevens, J. R..The article about the compound:1-(Furan-2-yl)propan-1-onecas:3194-15-8,SMILESS:O=C(C1=CC=CO1)CC).COA of Formula: C7H8O2. Through the article, more information about this compound (cas:3194-15-8) is conveyed.

Furfural (96 g.), added dropwise to 88 g. BuNH2 at 15-20°, stirred 30 min. at room temperature, saturated with solid NaOH, and extracted with ether, gives 90% N-furfurylidenebutylamine (I), b13 90°, n20D 1.5057, d204 0.950 (all n and d. at 20°); the following homologs were prepared similarly: Me b16 53°, n 1.5269, d. 1.025, 85%; Et b18 67°, n 1.5170, d. 0.988, 86%; Pr b21 87-8°, n 1.5105, d. 0.967; Am b10 104-5°, n 1.5024, d. 0.940. N-Thenylidenebutylamine b13 112-13°, n25D 1.5459, d254 0.990. I (68 g.) in 70 ml. ether, added to EtMgBr (54.5 g. EtBr) and refluxed 2 hrs., gives 60% N-butyl-α-ethylfurfurylamine (II), b25 108-9°, n 1.4635, d. 0.907 (1-naphthylurea m. 76-7°); N-amyl-α-methylfurfurylamine b15 102-3°, n 1.4681, d. 0.913, 36% (1-naphthylurea m. 76-7°); N-propyl-α-propylfurfurylamine b24 107-8°, n 1.4634, d. 0.904, 47% (1-naphthylurea m. 87°); N-ethyl-α-butylfurfurylamine b23 105.5-6.5°, n 1.4636, d. 0.909, 47% (1-naphthylurea m. 119-19.5°); N-methyl-α-amyl-furfurylamine b3 75-6°, n 1.4649, d. 0.913, 52% (1-naphthylurea m. 121°); α-isoamyl isomer b4 67.5-8.5°, n 1.4644, d. 0.913, 55% (1-naphthylurea m. 149°). N-Butyl-α-ethylthenylamine b3 84°, n25D 1.5172, d254 0.961, 60%. Furan and (EtCO)2O with ZnCl2 give 52% furyl Et ketone; 32 g. of the oxime (68%) on reduction with Na in EtOH gives 10 g. α-ethylfurfurylamine, which with BuI in com. xylene (refluxed 4 hrs.) gives II.

If you want to learn more about this compound(1-(Furan-2-yl)propan-1-one)COA of Formula: C7H8O2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3194-15-8).

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Formula: C38H24F4O4P2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole, is researched, Molecular C38H24F4O4P2, CAS is 503538-69-0, about Computational Analysis of Enantioselective Pd-Catalyzed α-Arylation of Ketones. Author is Orlandi, Manuel; Licini, Giulia.

The direct α-arylation of carbonyl compounds emerged over the last two decades as a straightforward method for the formation of C(sp3)-C(sp2) bonds. Mechanistic studies suggested a classical cross-coupling catalytic cycle. This consists of oxidative addition of the aryl halide (ArX) to the Pd(0)-catalyst, transmetalation of the Na- or K-enolate generated in situ, and subsequent reductive elimination. Even though the general reaction mechanism was thoroughly investigated, studies focusing on enantioselective variants of this transformation are rare. Here, the computational study of the [Pd(BINAP)]-catalyzed α-arylation of 2-methyltetralone with bromobenzene is reported. The whole reaction energy profile was computed and several mechanistic scenarios were investigated for the key steps of the reaction, which are the enolate transmetalation and the C-C bond-forming reductive elimination. Among the computed mechanisms, the reductive elimination from the C-bound enolate Pd complex was found to be the most favorable one, providing a good match with the stereoselectivity observed exptl. with different ligands and substrates. Detailed anal. of the stereodetermining transition structures allowed us to establish the origin of the reaction enantioselectivity.

If you want to learn more about this compound((R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole)Formula: C38H24F4O4P2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(503538-69-0).

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Recommanded Product: 2-Ethylbenzo[d]oxazole. 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. Compound: 2-Ethylbenzo[d]oxazole, is researched, Molecular C9H9NO, CAS is 6797-13-3, about The para-toluenesulfonic acid-promoted synthesis of 2-substituted benzoxazoles and benzimidazoles from diacylated precursors.

The synthesis of benzoxazoles I (R1 = Ph, alkyl, etc.; R2, R3 = H, nitro) was accomplished by treating N,O-diacylated 2-aminophenols II (same R1-R3) with toluenesulfonic acid. Benzimidazoles were prepared by treating N,N’-diacylated 1,2-benzenediamines with p-toluenesulfonic acid. These reactions are operationally simple and proceed in excellent yield.

If you want to learn more about this compound(2-Ethylbenzo[d]oxazole)Recommanded Product: 2-Ethylbenzo[d]oxazole, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(6797-13-3).

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Zeng, Chaoyuan; Yang, Fan; Chen, Jingchao; Wang, Jun; Fan, Baomin published an article about the compound: (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole( cas:503538-69-0,SMILESS:FC1(F)OC2=CC=C(P(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=C6OC(F)(F)OC6=CC=C5P(C7=CC=CC=C7)C8=CC=CC=C8)=C2O1 ).Reference of (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole. 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:503538-69-0) through the article.

A combination of iridium/copper associated with (R)-Difluorphos catalyst for the asym. ring opening reaction of azabenzonorbornadienes with amines was developed, which afforded chiral trans-vicinal diamines in 80-97% yields with 93-95% enantioselectivities.

If you want to learn more about this compound((R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole)Reference of (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(503538-69-0).

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 2-Mercapto-5-methylbenzimidazole( cas:27231-36-3 ) is researched.HPLC of Formula: 27231-36-3.Abreu-Quijano, M.; Palomar-Pardave, M.; Cuan, A.; Romero-Romo, M.; Negron-Silva, G.; Alvarez-Bustamante, R.; Ramirez-Lopez, A.; Herrera-Hernandez, H. published the article 《Quantum chemical study of 2-mercaptoimidazole, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole and 2-mercapto-5-nitrobenzimidazole as corrosion inhibitors for steel》 about this compound( cas:27231-36-3 ) in International Journal of Electrochemical Science. Keywords: m mercaptoimidazole corrosion inhibitor steel density functional theory. Let’s learn more about this compound (cas:27231-36-3).

In order to analyze the influence of substituent groups, both electron-donating and electron-attracting and the number of π-electrons on the corrosion inhibiting properties of organic mols., a theor. quantum chem. study under vacuo and in the presence of water, using the Polarizable Continuum Model (PCM), was carried out for four different mols., bearing similar chem. framework structure: 2-mercaptoimidazole (2MI), 2-mercaptobenzimidazole (2MBI), 2-mercapto-5-methylbenzimidazole (2M5MBI), and 2-mercapto-5-nitrobenzimidazole (2M5NBI). From an electrochem. study conducted previously in our group, it was found that the corrosion inhibition efficiency, IE, order followed by the mols. tested was 2MI > 2MBI > 2M5MBI > 2M5NBI. Thus 2MI turned out to be the best inhibitor. This fact strongly suggests that, contrary to a hitherto generally suggested notion, an efficient corrosion inhibiting mol. neither requires to be a large one, nor possesses an extensive π-electrons number In this work, from a theor. study a correlation was found between EHOMO, hardness (η), electron charge transfer (ΔN), electrophilicity (W), back-donation (ΔEBack-donation) and the inhibition efficiency, IE. The neg. values of EHOMO and the estimated value of the Standard Free Gibbs energy for all the mols. (based on the calculated equilibrium constant) were neg., indicating that the complete chem. processes in which the inhibitors are involved, occur spontaneously.

If you want to learn more about this compound(2-Mercapto-5-methylbenzimidazole)HPLC of Formula: 27231-36-3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(27231-36-3).

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Safety of 1-(Furan-2-yl)propan-1-one. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(Furan-2-yl)propan-1-one, is researched, Molecular C7H8O2, CAS is 3194-15-8, about Simple Catalytic Mechanism for the Direct Coupling of α-Carbonyls with Functionalized Amines: A One-Step Synthesis of Plavix. Author is Evans, Ryan W.; Zbieg, Jason R.; Zhu, Shaolin; Li, Wei; MacMillan, David W. C..

The direct α-amination of ketones, esters, and aldehydes has been accomplished via copper catalysis. In the presence of catalytic copper(II) bromide, a diverse range of carbonyl and amine substrates undergo fragment coupling to produce synthetically useful α-amino-substituted motifs. The transformation is proposed to proceed via a catalytically generated α-bromo carbonyl species; nucleophilic displacement of the bromide by the amine then delivers the α-amino carbonyl adduct while the catalyst is reconstituted. The practical value of this transformation is highlighted through one-step syntheses of two high-profile pharmaceutical agents, Plavix and amfepramone.

If you want to learn more about this compound(1-(Furan-2-yl)propan-1-one)Safety of 1-(Furan-2-yl)propan-1-one, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3194-15-8).

Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem