5-Fluorobenzoxazole-2-thiol

CAS Number 13451-78-0

Chemistry Building Blocks, Fluorinated Building Blocks, Heterocyclic Building Blocks, Monomers

5-Fluorobenzoxazole-2-thiol CAS 13451-78-0

A fluorinated benzoxazole building block

Serves as a synthesis intermediate for APIs

Overview
Related Products

5-Fluorobenzoxazole-2-thiol (CAS number 13451-78-0), also known as 5-fluoro-2-mercaptobenzoxazole, is a benzoxazole derivative featuring thiol and fluoride functional groups. Benzoxazole plays an important role in drug discovery, while the thiol group enables 5-fluorobenzoxazole-2-thiol to achieve desirable bioactivities via nucleophilic substitution. 5-Fluorobenzoxazole-2-thiol is modified with pyrrolidinamide for prodrugs against Mycobacterium tuberculosis, exhibiting a potency of 1.6 μM. Additionally, 5-Fluorobenzoxazole-2-thiol couples with phenylhydrazide derivatives, showing potential as antiglioma agents for anticancer drugs.

The thiol group in 5-fluorobenzoxazole-2-thiol can be converted to an amine through facile microwave- or visible light-assisted amination reactions.

Multiple functional groups

For facile synthesis

Fluorinated benzoxazole building block

For drug discovery, medicinal chemistry, and organic synthesis

Low Cost

Competitively priced, high quality product

High purity

>97% High purity

General Information

CAS Number	13451-78-0
Chemical Formula	C₇H₄FNOS
Full Name	5-Fluoro-1,3-benzoxazole-2(3H)-thione
Molecular Weight	169.18 g/mol
Synonyms	2-Mercapto-5-fluorobenzoxazole, 5-Fluoro-2-mercaptobenzoxazole, 5-Fluoro-2(3H)-benzoxazolethiene
Classification / Family	Fluorinated building blocks, Benzoxazole building blocks, Heterocyclic building blocks, APIs

Chemical Structure

Product Details

Purity	97%
Melting Point	T_m = 238 °C – 240 °C
Appearance	Off-white powder

MSDS Documentation

5-Fluorobenzoxazole-2-thiol MSDS Sheet

Literature and Reviews

Microwave-enhanced on-water amination of 2-mercaptobenzoxazoles to prepare 2-aminobenzoxazoles, T. Tankam et al., J. Org. Chem., 83 (19), 11936–11943 (2018); DOI: 10.1021/acs.joc.8b01824.
Organocatalytic visible light enabled S_NAr of heterocyclic thiols: a metal-free approach to 2-aminobenzoxazoles and 4-aminoquinazolines, E. Rattanagkool et al., J. Org. Chem., 82 (24), 13256–13262 (2017); DOI: 10.1021/acs.joc.7b02357.
Substitution-modulated anticancer activity of half-sandwich ruthenium(II) complexes with heterocyclic ancillary ligands, R. Mitra et al., Eur. J. Inorg. Chem., 2014 (22), 3536–3546 (2014); DOI: 10.1002/ejic.201402205.
MymA bioactivated thioalkylbenzoxazole prodrug family active against Mycobacterium tuberculosis, A. Moure et al., J. Med. Chem., 63, 4732–4748 (2020); DOI: 10.1021/acs.jmedchem.0c00003.
Synthesis and evaluation of new benzoxazole derivatives as potential antiglioma agents, M. Altintop et al., Marmara Pharm. J., 22 (4), 547–558 (2018); DOI: 10.12991/jrp.2018.97.

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