61540-14-5

Basic information

• Product Name: S-tert-butyl pent-4-enethioate
• CAS NO: 61540-14-5
• Molecular Formula: C₉H₁₆OS
• Molecular Weight: 172.2877
• Mol File: 61540-14-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 213.5°C at 760 mmHg
• Flash Point: 72.3°C
• Density: 0.939g/cm³
• Vapor Pressure: 0.164mmHg at 25°C
• Refractive Index: 1.473
• CAS DataBase Reference: S-tert-butyl pent-4-enethioate(CAS DataBase Reference)
• NIST Chemistry Reference: S-tert-butyl pent-4-enethioate(61540-14-5)
• EPA Substance Registry System: S-tert-butyl pent-4-enethioate(61540-14-5)

Safety Data

• Hazardous Substances Data: 61540-14-5(Hazardous Substances Data)

Upstream product

• 591-80-0 pent-4-enoic acid 
• 75-66-1 2-methylpropan-2-thiol 
• 999-90-6 S-tert-butyl thioacetate 
• 106-95-6 allyl bromide 

Relevant articles and documents

A Catalyst Designed for the Enantioselective Construction of Methyl- and Alkyl-Substituted Tertiary Stereocenters

Tertiary methyl-substituted stereocenters are present in numerous biologically active natural products. Reported herein is a catalytic enantioselective method for accessing these chiral building blocks using the Mukaiyama-Michael reaction between silyl ketene thioacetals and acrolein. To enable remote enantioface control on the nucleophile, a new iminium catalyst, optimized by three-parameter tuning and by identifying substituent effects on enantioselectivity, was designed. The catalytic process allows rapid access to chiral thioesters, amides, aldehydes, and ketones bearing an α-methyl stereocenter with excellent enantioselectivities, and allowed rapid access to the C4-C13 segment of (-)-bistramide A. DFT calculations rationalized the observed sense and level of enantioselectivity.