Diethyl 2,2-dimethylglutarate

Base Information

• Chemical Name: Diethyl 2,2-dimethylglutarate
• CAS No.: 78092-07-6
• Molecular Formula: C11H20 O4
• Molecular Weight: 216.277
• Hs Code.: 2917190090
• European Community (EC) Number: 278-829-4
• DSSTox Substance ID: DTXSID60999320
• Nikkaji Number: J319.717D
• Wikidata: Q82992288
• Mol file: 78092-07-6.mol

Synonyms:Diethyl 2,2-dimethylglutarate;78092-07-6;Diethyl 2,2-dimethylpentanedioate;EINECS 278-829-4;Pentanedioic acid, 2,2-dimethyl-, diethyl ester;SCHEMBL4577570;DTXSID60999320;Diethyl 2,2-dimethylpentanedioate #;2,2-Dimethylpentanedioic acid diethyl ester;2,2-Dimethylpentan-1,5-diacid, 1,5-diethyl(ester)

Chemical Property of Diethyl 2,2-dimethylglutarate

Chemical Property:

• Vapor Pressure: 0.0565mmHg at 25°C
• Boiling Point: 233.2°C at 760 mmHg
• Flash Point: 100.3°C
• PSA: 52.60000
• Density: 0.996g/cm³
• LogP: 1.91900
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 216.13615911
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl 2,2-dimethylglutarate

There total 3 articles about Diethyl 2,2-dimethylglutarate 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:

ethanol (64-17-5) + 2,2-dimethylglutaric acid (681-57-2) → diethyl α,α-dimethylglutarate (78092-07-6)

Guidance literature:

With hydrogenchloride;

Reference yield:

2,2-dimethylglutaric acid (681-57-2) → diethyl α,α-dimethylglutarate (78092-07-6)

Guidance literature:

(esterification);

DOI:10.1139/v61-142

Reference yield:

→ diethyl α,α-dimethylglutarate (78092-07-6)

Guidance literature:

2,2-Dimethyl-4-cyan-butyraldehyd, 1. HNO3/H2SO4 (Oxidation), 2. abs. A.;

DOI:10.1021/jo01028a504

upstream raw materials:

ethanol

2,2-dimethylglutaric acid

Downstream raw materials:

2-(2-Chloro-phenyl)-4,4-dimethyl-cyclohexane-1,3-dione

2-(2,4-Dimethyl-phenyl)-4,4-dimethyl-cyclohexane-1,3-dione

2-Ethyl-hexanoic acid 2-(2-chloro-phenyl)-4,4-dimethyl-3-oxo-cyclohex-1-enyl ester

2-Ethyl-hexanoic acid 2-(2,4-dimethyl-phenyl)-4,4-dimethyl-3-oxo-cyclohex-1-enyl ester

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