Diethyl butanoylpropanedioate

Base Information

• Chemical Name: Diethyl butanoylpropanedioate
• CAS No.: 3378-01-6
• Molecular Formula: C11H18 O5
• Molecular Weight: 230.261
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID10541595
• Wikidata: Q82417975
• Mol file: 3378-01-6.mol

Synonyms:Diethyl butanoylpropanedioate;diethyl 2-butanoylpropanedioate;3378-01-6;21633-79-4;Diethyl 2-butyrylmalonate;DTXSID10541595;AKOS010951818

Chemical Property of Diethyl butanoylpropanedioate

Chemical Property:

• Boiling Point: 131oC/1.7kPa。 用途 丁酰基丙二酸二乙酯(3378-01-6)的用途：
• PSA: 69.67000
• LogP: 1.09800
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 230.11542367
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C(C(=O)OCC)C(=O)OCC

Technology Process of Diethyl butanoylpropanedioate

There total 9 articles about Diethyl butanoylpropanedioate 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: 63.0%

2-(2-Benzenesulfonyl-acetyl)-2-ethyl-malonic acid diethyl ester (93845-22-8) → diethyl (acetyl)ethylmalonate (3378-01-6)

Guidance literature:

With aluminium amalgam; In tetrahydrofuran; water; at 80 ℃; for 2h;

DOI:10.1246/cl.1984.1517

Reference yield: 24.0%

2-Ethyl-2-(2-phenylsulfanyl-acetyl)-malonic acid diethyl ester (93845-20-6) → diethyl (acetyl)ethylmalonate (3378-01-6) + ethyl diethyl malonate (133-13-1)

Guidance literature:

With nickel; In acetone;

DOI:10.1246/cl.1984.1517

Reference yield:

2-Ethyl-2-((Z)-1-methoxy-2-phenylsulfanyl-vinyl)-malonic acid diethyl ester (93845-18-2,93845-19-3) → diethyl (acetyl)ethylmalonate (3378-01-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) Me₃SiI, 2) MeOH / 1)CDCl₃, 6 d

2: 20 percent / Raney Ni / acetone

With methanol; trimethylsilyl iodide; nickel; In acetone;

DOI:10.1246/cl.1984.1517

upstream raw materials:

2-Ethyl-2-(2-phenylsulfanyl-acetyl)-malonic acid diethyl ester

2-(2-Benzenesulfonyl-acetyl)-2-ethyl-malonic acid diethyl ester

acetyl chloride

diethyl ether

Downstream raw materials:

ethylmalonic acid

acetic acid

ethyl diethyl malonate

ethyl acetate