Pentanedioic acid, 3-methyl-, 1,5-diethyl ester

Base Information

• Chemical Name: Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
• CAS No.: 6829-42-1
• Molecular Formula: C10H18 O4
• Molecular Weight: 202.251
• European Community (EC) Number: 229-906-6
• UNII: AA4HK37RUK
• DSSTox Substance ID: DTXSID3064483
• Nikkaji Number: J298.130K
• Wikidata: Q81991593
• Mol file: 6829-42-1.mol

Synonyms:6829-42-1;diethyl 3-methylpentanedioate;Pentanedioic acid, 3-methyl-, 1,5-diethyl ester;DIETHYL-3-METHYLGLUTARATE;Diethyl 3-methylglutarate;beta-Methyl diethyl glutarate;Pentanedioic acid,3-methyl-, 1,5-diethyl ester;EINECS 229-906-6;Pentanedioic acid, 3-methyl-, diethyl ester;3-Methylglutaric acid diethyl ester;AA4HK37RUK;SCHEMBL5972479;DTXSID3064483;1,5-diethyl 3-methylpentanedioate;3-Methylpentanedioic acid diethyl ester;FT-0636268

Chemical Property of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester

Chemical Property:

• Vapor Pressure: 0.0528mmHg at 25°C
• Boiling Point: 234.5°C at 760 mmHg
• Flash Point: 103.8°C
• PSA: 52.60000
• Density: 1.006g/cm³
• LogP: 1.52890
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 202.12050905
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL 3-METHYLGLUTARATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C)CC(=O)OCC

Technology Process of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester

There total 6 articles about Pentanedioic acid, 3-methyl-, 1,5-diethyl 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: 95.0%

3-methylglutaric anhydride (4166-53-4) → diethyl 3-methylglutarate (6829-42-1)

Guidance literature:

Reference yield: 56.0%

2-acetyl-3-methyl-glutaric acid diethyl ester (2832-13-5) → diethyl 3-methylglutarate (6829-42-1)

Guidance literature:

With methanol; sodium bromide; electrolysis;

DOI:10.1246/cl.1996.143

Reference yield: 13.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + 3-hydroxy-2-methyl-1-propene (513-42-8) → diethyl 3-methylglutarate (6829-42-1)

Guidance literature:

With hydrogenchloride; palladium(II) acetylacetonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In diethyl ether; toluene; at 105 ℃; for 24h; under 30003 Torr; Inert atmosphere; Autoclave;

upstream raw materials:

ethanol

3-methyl glutaric acid

3-methyl-cyclopentanone

2-acetyl-3-methyl-glutaric acid diethyl ester

Downstream raw materials:

3-methylpentane-1,5-diol

1-(3,4-dimethoxy-phenethyl)-4-methyl-piperidine-2,6-dione

3-methyl-glutaric acid bis-(3,4-dimethoxy-phenethylamide)

3-methyl-glutaric acid bis-phenethylamide

Refernces

• 1、 Fujimoto, Kazuo,Maekawa, Hirofumi,Matsubara, Yoshiharu,Nishiguchi, Ikuzo. "Electrochemical deacetylation of 1,3-dicarbonyl compounds". . p. 143 - 144. Retrieved 2007/10/03.