4767-62-8

Basic information

• Product Name: 1(3H)-Isobenzofuranone, 3-ethylidene-, (3Z)-
• CAS NO: 4767-62-8
• Molecular Formula: C10H8O2
• Molecular Weight: 160.172
• Mol File: 4767-62-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1(3H)-Isobenzofuranone, 3-ethylidene-, (3Z)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1(3H)-Isobenzofuranone, 3-ethylidene-, (3Z)-(4767-62-8)
• EPA Substance Registry System: 1(3H)-Isobenzofuranone, 3-ethylidene-, (3Z)-(4767-62-8)

Safety Data

• Hazardous Substances Data: 4767-62-8(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 201230-82-2 carbon monoxide 
• 148761-93-7 1-(2-iodophenyl)-2-propen-1-ol 
• 591-87-7 Allyl acetate 
• 65-85-0 benzoic acid 

Relevant articles and documents

Ruthenium(II)-Catalyzed Cyclization of Aromatic Acids with Allylic Acetates via Redox-Free Two-Fold Aromatic/Allylic C-H Activations: Combined Experimental and DFT Studies

A Ru(II)-catalyzed, redox-free, two-fold aromatic/allylic C-H bond activation of aromatic acids with allylic acetates to give (Z)-3-ylidenephthalides is described. In the reaction, H2 was formed as a side product. The detailed mechanistic investigation and DFT studies including the transition-state analysis support the postulate that the C-H allylation takes place at the ortho position of aromatic acids with allylic acetates followed by intramolecular cyclization at the allylic C(sp3)-H via a π-allylruthenium intermediate.