111222-67-4

Basic information

• Product Name: Benzoic acid, 4-propoxy-, propyl ester
• CAS NO: 111222-67-4
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Mol File: 111222-67-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-propoxy-, propyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-propoxy-, propyl ester(111222-67-4)
• EPA Substance Registry System: Benzoic acid, 4-propoxy-, propyl ester(111222-67-4)

Safety Data

• Hazardous Substances Data: 111222-67-4(Hazardous Substances Data)

Upstream product

• 71-23-8 propan-1-ol 
• 201230-82-2 carbon monoxide 
• 99-91-2 para-chloroacetophenone 
• 99-96-7 4-hydroxy-benzoic acid 
• 94-13-3 nipasol 
• 106-94-5 propyl bromide 

Relevant articles and documents

The methoxycarbonylation of aryl chlorides catalysed by palladium complexes of bis(di-tert-butylphosphinomethyl)benzene

A catalyst system based on palladium-1,2-bis-(di-tert-butylphosphinomethyl) benzene (BDTBPMB) shows good activity for the methoxycarbonylation of strongly activated aryl chlorides, like 4-chloromethylbenzoate or 4-chlorocyanobenzene. Surprisingly, the use of less activated aryl chlorides, like 4-chloroacetophenone, leads to the formation of dimethyl terephthalate amongst other products arising from organic reactions of methoxide ion and/or CO. Less nucleophilic alcohols such as 2,2,2-trifluoroethanol promote the formation of carbonylation products even from 4-chloroacetophenone and chlorobenzene. Labelling studies involving CD3OH, CD3OD or 13CO give information on the origin of many of the products. The Royal Society of Chemistry 2005.