97839-44-6

Basic information

• Product Name: Benzenecarbothioic acid, 2-nitro-, S-phenyl ester
• CAS NO: 97839-44-6
• Molecular Formula: C13H9NO3S
• Molecular Weight: 259.285
• Mol File: 97839-44-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzenecarbothioic acid, 2-nitro-, S-phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenecarbothioic acid, 2-nitro-, S-phenyl ester(97839-44-6)
• EPA Substance Registry System: Benzenecarbothioic acid, 2-nitro-, S-phenyl ester(97839-44-6)

Safety Data

• Hazardous Substances Data: 97839-44-6(Hazardous Substances Data)

Upstream product

• 552-16-9 ortho-nitrobenzoic acid 
• 108-98-5 thiophenol 
• 610-14-0 2-nitrobenzyl chloride 

Downstream Products

• 2243-79-0 2-nitrobenzophenone 
• 2385-27-5 N-phenyl-2-nitrobenzamide 

Relevant articles and documents

Fukuyama Cross-Coupling Approach to Isoprekinamycin: Discovery of the Highly Active and Bench-Stable Palladium Precatalyst POxAP

An efficient and user-friendly palladium(II) precatalyst, POxAP (post-oxidative-addition precatalyst), was identified for use in Fukuyama cross-coupling reactions. Suitable for storage under air, the POxAP precatalyst allowed reaction between thioesters and organozinc reagents with turnover numbers of ～90000. A series of 23 ketones were obtained with yields ranging from 53 to 99%. As proof of efficacy, an alternative approach was developed for the synthesis of a key precursor of the natural product isoprekinamycin.