Diethyl methyl(2-methylpropyl)propanedioate

Base Information

• Chemical Name: Diethyl methyl(2-methylpropyl)propanedioate
• CAS No.: 58447-70-4
• Molecular Formula: C12H22O4
• Molecular Weight: 230.3007
• DSSTox Substance ID: DTXSID90207147
• Nikkaji Number: J1.621.206G
• Mol file: 58447-70-4.mol

Synonyms:58447-70-4;DIETHYL METHYL(2-METHYLPROPYL)PROPANEDIOATE;SCHEMBL4426319;DTXSID90207147;2-Methyl-2-isobutylmalonic acid diethyl ester

Chemical Property of Diethyl methyl(2-methylpropyl)propanedioate

Chemical Property:

• Vapor Pressure: 0.0436mmHg at 25°C
• Boiling Point: 237.9°Cat760mmHg
• Flash Point: 100.6°C
• Density: 0.984g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 230.15180918
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl methyl(2-methylpropyl)propanedioate

There total 2 articles about Diethyl methyl(2-methylpropyl)propanedioate 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:

(2-methylpropyl)-propanedioic acid, diethyl ester (10203-58-4) + sodium ethanolate (141-52-6) + methyl iodide (74-88-4) → isobutyl-methyl-malonic acid diethyl ester (58447-70-4)

Guidance literature:

Reference yield:

→ isobutyl-methyl-malonic acid diethyl ester (58447-70-4)

Guidance literature:

Reference yield:

isobutyl-methyl-malonic acid diethyl ester (58447-70-4) → 2-Benzyloxycarbamoyl-2,4-dimethyl-pentanoic acid ethyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: 58 percent / KOH / ethanol; H₂O / 48 h / Heating

2: 48 percent / 1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide hydrochloride, 1-hydroxybenzotriazole / tetrahydrofuran / Ambient temperature

With potassium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; ethanol; water;

DOI:10.1021/jm980112p

upstream raw materials:

(2-methylpropyl)-propanedioic acid, diethyl ester

sodium ethanolate

methyl iodide