85485-87-6

Basic information

• Product Name: 3-(methylsulfanyl)-N-(4-nitrobenzyl)propan-1-amine
• CAS NO: 85485-87-6
• Molecular Formula: C₁₁H₁₆N₂O₂S*ClH
• Molecular Weight: 240.3219
• Mol File: 85485-87-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 390.1°C at 760 mmHg
• Flash Point: 189.7°C
• Density: 1.164g/cm³
• Vapor Pressure: 2.72E-06mmHg at 25°C
• Refractive Index: 1.571
• CAS DataBase Reference: 3-(methylsulfanyl)-N-(4-nitrobenzyl)propan-1-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(methylsulfanyl)-N-(4-nitrobenzyl)propan-1-amine(85485-87-6)
• EPA Substance Registry System: 3-(methylsulfanyl)-N-(4-nitrobenzyl)propan-1-amine(85485-87-6)

Safety Data

• Hazardous Substances Data: 85485-87-6(Hazardous Substances Data)

Upstream product

• 4104-45-4 3-methylthio-1-propanamine 
• 555-16-8 4-nitrobenzaldehdye 

Relevant articles and documents

The Synthesis and Hydrolysis of N-Benzyl-S-methylisothiazolidinium Salts

A series of N-benzyl-S-methylisothiazolidinium salts were obtained by iodinic oxidation of the corresponding N-benzyl-3-methylthiopropylamines at neutral pH followed by their isolation as the chloride salts.The parent N-benzyl-3-methylthiopropylamines were prepared by reacting substituted benzaldehydes with 3-methylthiopropylamine and sodium cyanoborohydride.Acid hydrolysis of the isothiazolidinium salts resulted in their quantitative conversion to the corresponding N-benzyl-3-methylsulfenylpropylamines.Although methylsulfenylpropylamine formation also predominated in alkaline solution, a significant fraction was converted to the parent benzaldehyde and presumably, 3-methylthiopropylamine.The latter conversion is believed to involve opening of the isothiazolidine ring via an elimination reaction followed by hydrolysis of the resulting Shiff's base.