54576-15-7

Basic information

• Product Name: 3-Methyloctanedioic acid dimethyl ester
• Synonyms: 3-Methyloctanedioic acid dimethyl ester
• CAS NO: 54576-15-7
• Molecular Formula: C11H20O4
• Molecular Weight: 216.27
• Mol File: 54576-15-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 249.0±8.0 °C(Predicted)
• Appearance: /
• Density: 0.994±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 3-Methyloctanedioic acid dimethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyloctanedioic acid dimethyl ester(54576-15-7)
• EPA Substance Registry System: 3-Methyloctanedioic acid dimethyl ester(54576-15-7)

Safety Data

• Hazardous Substances Data: 54576-15-7(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 53735-43-6 2-Methyl-hexa-1,3-dien 
• 201230-82-2 carbon monoxide 
• 1121-66-0 2-Cyclohepten-1-one 
• 623-43-8 methyl crotonate 
• 5380-42-7 thiophene-2-carboxylic acid methyl ester 
• 54575-99-4 2-Methoxycarbonyloxy-7-methyl-cyclohept-1-enecarboxylic acid methyl ester 

Relevant articles and documents

Efficient Palladium-Catalyzed Carbonylation of 1,3-Dienes: Selective Synthesis of Adipates and Other Aliphatic Diesters

The dicarbonylation of 1,3-butadiene to adipic acid derivatives offers the potential for a more cost-efficient and environmentally benign industrial process. However, the complex reaction network of regioisomeric carbonylation and isomerization pathways, make a selective and direct transformation particularly difficult. Here, we report surprising solvent effects on this palladium-catalysed process in the presence of 1,2-bis-di-tert-butylphosphin-oxylene (dtbpx) ligands, which allow adipate diester formation from 1,3-butadiene, carbon monoxide, and methanol with 97 % selectivity and 100 % atom-economy under scalable conditions. Under optimal conditions a variety of di- and triesters from 1,2- and 1,3-dienes can be obtained in good to excellent yields.