Category: 99586-31-9

Transition-Metal-Free Alkylation/Arylation of Benzoxazole via Tf₂O-Activated-Amide was written by Niu, Zhi-Jie;Li, Lian-Hua;Liu, Xue-Yuan;Liang, Yong-Min. And the article was included in Advanced Synthesis & Catalysis in 2019.SDS of cas: 99586-31-9 This article mentions the following:

A transition-metal-free approach to the alkylation/arylation of benzoxazoles was developed by employing Tf₂O-activated-amides as the alkylating/arylating reagent for the synthesis of alkyl/aryl benzoxazoles I [R = i-Pr, Ph, (CH₂)₂Ph, etc.; R¹ = H, 5-Me, 5-NO₂, etc.]. The mild reaction conditions and particularly insensitivity to air and water, further enhanced the synthetic potential in pharmaceutical synthesis. In the experiment, the researchers used many compounds, for example, 2-(3-Bromophenyl)benzo[d]oxazole (cas: 99586-31-9SDS of cas: 99586-31-9).

2-(3-Bromophenyl)benzo[d]oxazole (cas: 99586-31-9) belongs to benzoxazole derivatives. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization. A number of marketed drugs are available having benzoxazole as core active moiety like, nonsteroidal anti-inflammatory drug (NSAID)—flunoxaprofen, benoxaprofen, antibiotic—calcimycin.SDS of cas: 99586-31-9

Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors was written by Zhao, LiJun;Zhang, LiangRen;Lei, Ming. And the article was included in Science China: Chemistry in 2013.Reference of 99586-31-9 This article mentions the following:

Transthyretin (TTR), a plasma protein with a tetramer structure, could form amyloid fibril associated with several human diseases through the dissociation of tetramer and the misfolding of monomer. These amyloidogenesis can be inhibited by small mols. which bind to the central channel of TTR. A number of small mols. like 2-arylbenzoxazoles (ABZ) analogs are proposed as promising therapeutic strategy to treat amyloidosis. In this work, comparative mol. field anal. (CoMFA) and comparative mol. similarity indexes anal. (CoMSIA) three-dimensional quant. structure-activity relationship (3D-QSAR) and docking studies were performed on series of 2-arylbenzoxazoles (ABZ) and linker-Y analogs to investigate the inhibitory activities of TTR amyloidogenesis at at. level. Significant correlation coefficients for ABZ series (CoMFA, r² = 0.877, q² = 0.431; CoMSIA, r² = 0.836, q² = 0.447) and those for linker-Y series (CoMFA, r² = 0.828, q² = 0.522; CoMSIA, r² = 0.800, q² = 0.493) were obtained, and the generated models were validated using test sets. In addition, docking studies on 6 compounds binding to TTR were performed to analyze the forward or reverse binding mode and interactions between mols. and TTR. These results from 3D-QSAR and docking studies have great significance for designing novel TTR amyloidogenesis inhibitors in the future. In the experiment, the researchers used many compounds, for example, 2-(3-Bromophenyl)benzo[d]oxazole (cas: 99586-31-9Reference of 99586-31-9).

2-(3-Bromophenyl)benzo[d]oxazole (cas: 99586-31-9) belongs to benzoxazole derivatives. The benzoxazole moiety is widely found in various natural compounds, which are often found to be biologically active. Benzoxazoles are prominent in medicinal chemistry due to their wide spectrum of pharmacological activities such as antibacterial, antifungal, anticancer.Reference of 99586-31-9

Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Cyclopalladated ferrocenylimine catalyzed chlorination of 2-arylbenzoxazoles was written by Leng, Yuting;Yang, Fan;Wu, Yangjie;Li, Ke. And the article was included in Chinese Journal of Chemistry in 2011.Product Details of 99586-31-9 This article mentions the following:

An efficient and facile protocol for palladacycle-catalyzed chlorination of 2-arylbenzoxazoles was developed. The results represent the first examples involving the palladacycle as the catalyst for such chlorination. This chlorination was not a ligand-directed ortho-C-H activation, but an electrophilic substitution process at the para-position of the nitrogen atom in the benzo ring of benzoxazole moiety, the regiochem. of which had been confirmed by HMBC spectral anal. The catalytic system could tolerate various halogen atoms, such as F, Cl and Br, affording the corresponding products in moderate to excellent yields. In the experiment, the researchers used many compounds, for example, 2-(3-Bromophenyl)benzo[d]oxazole (cas: 99586-31-9Product Details of 99586-31-9).

2-(3-Bromophenyl)benzo[d]oxazole (cas: 99586-31-9) belongs to benzoxazole derivatives. Although benzoxazole itself is of little practical value, many derivatives of benzoxazoles are commercially important. The wide range in therapeutic potential of benzoxazole derivatives is related to the favourable interactions of the benzoxazole moiety with different protein targets.Product Details of 99586-31-9

Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem