3-Methylhexanedioic acid dimethyl ester

Base Information

• Chemical Name: 3-Methylhexanedioic acid dimethyl ester
• CAS No.: 54576-13-5
• Molecular Formula: C9H16O4
• Molecular Weight: 188.22100
• Hs Code.: 2917190090
• Mol file: 54576-13-5.mol

Synonyms:Hexanedioic acid,3-methyl-,dimethyl ester;3-methyl-hexanedioic acid dimethyl ester;(+-)-3-methyl-adipic acid dimethyl ester;3-Methyl-adipinsaeure-dimethylester;

Chemical Property of 3-Methylhexanedioic acid dimethyl ester

Chemical Property:

• Boiling Point: 122-122.5 °C(Press: 18 Torr)
• PSA: 52.60000
• Density: 1.0372 g/cm3
• LogP: 1.13880

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Methylhexanedioic acid dimethyl ester

There total 10 articles about 3-Methylhexanedioic acid dimethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

methanol (67-56-1) + 2,4-dinitro-benzenesulfonic acid 5-methyl-2-oxo-cyclohexyl ester → dimethyl 3-methylhexanedioate (54576-13-5)

Guidance literature:

With Oxone; toluene-4-sulfonic acid; at 65 ℃; for 2h;

DOI:10.1055/s-2002-34236

Reference yield: 79.0%

methanol (67-56-1) + 4-methyl-2-nitro-cyclohexanone (81842-51-5) → dimethyl 3-methylhexanedioate (54576-13-5)

Guidance literature:

With dipotassium peroxodisulfate; sulfuric acid; at 80 ℃; for 3h;

DOI:10.1016/S0040-4020(97)10052-7

Reference yield: 76.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + isoprene (78-79-5,9003-31-0) → dimethyl 3-methylhexanedioate (54576-13-5)

Guidance literature:

With toluene-4-sulfonic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; palladium(II) bromide; In para-xylene; at 140 ℃; for 48h; under 30003 Torr; Inert atmosphere; Autoclave;

upstream raw materials:

methanol

3-methyladipic acid

1,2-Dibromopropane

methyl propanoyl acetate

Downstream raw materials:

methyl 4-methyl-2-oxocyclopentane-1-carboxylate

Refernces

• 1、 -. "METHOD FOR PREPARING DI- OR TRICARBOXYLIC ESTERS BY ALKOXYCARBONYLATION OF DIENES HAVING CONJUGATED DOUBLE BONDS". Paragraph 0086. . Retrieved 2018/03/09.
• 2、 Ballini, Roberto,Bosica, Giovanna. "α-nitrocycloalkanones as a source of α,ω,-dicarboxylic acid dimethyl esters". . p. 16131 - 16138. Retrieved 2007/10/03.