170162-56-8

Basic information

• Product Name: 3-(n-Butylthio)benzoic acid
• Synonyms: 3-(n-Butylthio)benzoic acid
• CAS NO: 170162-56-8
• Molecular Weight: 210.297
• Mol File: 170162-56-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 3-(n-Butylthio)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(n-Butylthio)benzoic acid(170162-56-8)
• EPA Substance Registry System: 3-(n-Butylthio)benzoic acid(170162-56-8)

Safety Data

• Hazardous Substances Data: 170162-56-8(Hazardous Substances Data)

Upstream product

• 109-65-9 1-bromo-butane 
• 72886-42-1 methyl 3-sulfanylbenzoate 
• 109-72-8 n-butyllithium 
• 946-65-6 3-(trifluoromethylthio)benzoic acid 
• 109-79-5 n-butanethiol 
• 585-76-2 m-bromobenzoic acid 
• 4869-59-4 3-mercapto benzoic acid 
• 618-51-9 3-Iodobenzoic acid 

Downstream Products

• 855272-68-3 3-butylsulfanyl-benzoyl chloride 
• 67032-49-9 3-butylsulfanyl-benzoic acid-(2-diethylamino-ethyl ester) 
• 67032-51-3 3-butylsulfanyl-benzoic acid-(3-diethylamino-propyl ester) 
• 369360-17-8 N'-((2RS,3R)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-3-(butylsulfanyl)benzohydrazide 

Relevant articles and documents

Demonstrating Ligandability of the LC3A and LC3B Adapter Interface

Autophagy is the common name for a number of lysosome-based degradation pathways of cytosolic cargos. The key components of autophagy are members of Atg8 family proteins involved in almost all steps of the process, from autophagosome formation to their selective fusion with lysosomes. In this study, we show that the homologous members of the human Atg8 family proteins, LC3A and LC3B, are druggable by a small molecule inhibitor novobiocin. Structure-activity relationship (SAR) studies of the 4-hydroxy coumarin core scaffold were performed, supported by a crystal structure of the LC3A dihydronovobiocin complex. The study reports the first nonpeptide inhibitors for these protein interaction targets and will lay the foundation for the development of more potent chemical probes for the Atg8 protein family which may also find applications for the development of autophagy-mediated degraders (AUTACs).

Novel reactions of perfluoroalkylphenyl sulfides with organolithium reagents

The reaction of anisole with organolithium reagents, commonly known as ortho-directed metallation, is of considerable synthetic utility in organic chemistry and as such has attracted considerable attention in recent years.Over the past 50 years, several mechanisms have been proposed to account for the observed regioselective metallation.For the first time, the reaction of perfluoroalkylphenyl sulfides with organolithium reagents has been investigated and found to furnish products resulting from the replacement of the perfluoroalkyl moieties with alkyl groups derived from the metallating agents.Phenyltrifluoromethyl ether, the anisole analog, failed to undergo metallation.A rationalization for the formation of unusual products via mediation of a single-electron-transfer process is presented in this paper together with the spectral data of the products. - Keywords: Reactions; Perfluoroalkylphenyl sulfides; Organolithium reagents; NMR spectroscopy; Mass spectrometry; Orthometallation