1194360-44-5

Basic information

• Product Name: (Z)-methyl 2,4,4-trimethyl-3-phenylthiomethyl-2-pentenoate
• CAS NO: 1194360-44-5
• Molecular Weight: 278.415
• Mol File: 1194360-44-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (Z)-methyl 2,4,4-trimethyl-3-phenylthiomethyl-2-pentenoate(CAS DataBase Reference)
• NIST Chemistry Reference: (Z)-methyl 2,4,4-trimethyl-3-phenylthiomethyl-2-pentenoate(1194360-44-5)
• EPA Substance Registry System: (Z)-methyl 2,4,4-trimethyl-3-phenylthiomethyl-2-pentenoate(1194360-44-5)

Safety Data

• Hazardous Substances Data: 1194360-44-5(Hazardous Substances Data)

Upstream product

• 34757-17-0 ethyl 2,2-dibromopropanoate 
• 37471-41-3 3,3-dimethyl-1-(phenylthio)butan-2-one 
• 74-88-4 methyl iodide 

Relevant articles and documents

The effects of C-S and C-Se bonds on torquoselectivity: stereoselective olefination of α-thio and α-selenoketones with ynolates

Highly Z-selective olefination of acyclic α-thio and α-selenoketones with ynolates has been achieved, and the theoretical calculations of the transition states in the ring-opening of the intermediates, the β-lactone enolates, revealed that the torquoselectivity was controlled by the secondary orbital interactions between the σ orbital of the C-S bond or a lone pair orbital on the S and σ* orbitals of the breaking C-O bond, and the σ orbital of the breaking C-O bond or a lone pair orbital on the O on the ring and the σ* orbitals of the C-S bond. The synthetic applications of the resulting olefins are also shown.