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2-((4-fluorobenzyl)thio)benzo[d]oxazole is a chemical compound characterized by its unique molecular structure. It belongs to the class of benzoxazoles, which are heterocyclic compounds with a benzene ring fused to an oxazole ring. The compound features a benzyl group attached to the benzoxazole core, with the benzyl group itself being substituted by a fluorine atom at the para position. The sulfur atom in the compound forms a thiol group, creating a sulfur-carbon bond with the benzyl group. This specific arrangement of atoms and functional groups endows the compound with distinct chemical properties and potential applications in various fields, such as pharmaceuticals, materials science, and agrochemicals.

729-54-4

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729-54-4 Usage

Chemical Family

The compound belongs to the oxazole family.

Molecular Weight

The molecular weight of the compound is 273.29 g/mol.

Fluorobenzyl Thio Moiety

The compound contains a fluorobenzyl thio moiety.

Organic Compound

It is an organic compound.

Pharmaceutical Use

The compound is used in the pharmaceutical industry as a potential therapeutic agent for various medical conditions.

Biological Activities

Studies have shown that it exhibits potential biological activities and may have applications in the treatment of certain diseases.

Drug Discovery and Development

Its unique structure and properties make it a valuable component in drug discovery and development processes.

Research Interest

Its synthesis and structural properties continue to be of interest to researchers and chemists for potential pharmaceutical use.

Check Digit Verification of cas no

The CAS Registry Mumber 729-54-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,2 and 9 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 729-54:
(5*7)+(4*2)+(3*9)+(2*5)+(1*4)=84
84 % 10 = 4
So 729-54-4 is a valid CAS Registry Number.

729-54-4Downstream Products

729-54-4Relevant academic research and scientific papers

One-Pot Synthesis of 2-Benzyl/2-Allyl-Substituted Thiobenzoazoles Using Transition-Metal-Free Conditions in Water

Zhang, Shi-Bo,Liu, Xing,Gao, Ming-Yuan,Dong, Zhi-Bing

, p. 14933 - 14941 (2019/01/04)

A transition-metal-free protocol for the one-pot synthesis of 2-benzyl/2-allyl-substituted thiobenzoazoles in water was developed. The cyclization of 2-aminothiophenols, 2-aminophenols, and 1,2-phenylenediamines with tetramethylthiuram disulfide (TMTD) gave mercapto benzoheterocycles, and the subsequent C-S coupling with benzyl or allyl halides furnished the desired products in good to excellent yields. This method features transition-metal-free conditions with water as a solvent, an easy performance, mild reaction conditions, a wide substrate scope, and good to excellent yields, thus paving an efficient and useful way to establish a library of potentially active drug molecules.

Green Synthesis of Potential Antifungal Agents: 2-Benzyl Substituted Thiobenzoazoles

Ballari, María Sol,Herrera Cano, Natividad,Lopez, Abel Gerardo,Wunderlin, Daniel Alberto,Feresín, Gabriela Egly,Santiago, Ana Noemí

, p. 10325 - 10331 (2017/12/06)

A series of benzyl-substituted thiobenzoazoles were synthesized by an environmentally friendly approach, to search for new antifungal agrochemicals. Compounds were prepared starting from 2-mercaptobenzoazoles, using KOH, benzyl halides, and water, resulting in a simple and ecological method. New antifungals were tested against a group of phytopathogenic fungi. Two compounds showed an interesting activity against Botrytis cinerea, Fusarium oxysporum, and Aspergillus spp.: 2-((4-(trifluoromethyl)benzyl)thio)benzo[d]thiazole, 3ac, and 2-((4-methylbenzyl)thio)benzo[d]thiazole, 3al. Thus, 3ac and 3al can be considered as broad spectrum antifungal agents. Furthermore, two new compounds, 2-((4-iodobenzyl)thio)benzo[d]thiazole, 3aj, and 2-(benzylthio)benzo[d]oxazole, 3ba, showed better inhibitory effect against Botrytis cinerea and Fusarium oxysporum when compared to the commercial fungicide Captan. Thus, 3aj and 3ba can be considered reduced-spectrum antifungals.

Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents

Klimesova, Vera,Koci, Jan,Waisser, Karel,Kaustova, Jarmila,Moellmann, Ute

experimental part, p. 2286 - 2293 (2009/09/06)

A set of 2-benzylsulfanyl derivatives of benzoxazole was synthesized and evaluated for their in vitro antimycobacterial activity against Mycobacterium tuberculosis, non-tuberculous mycobacteria and multidrug-resistant M. tuberculosis. The activities were

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