Butan-2-ylpropanedioic acid

Base Information

• Chemical Name: Butan-2-ylpropanedioic acid
• CAS No.: 4372-15-0
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17
• NSC Number: 128107
• DSSTox Substance ID: DTXSID50299088
• Mol file: 4372-15-0.mol

Synonyms:4372-15-0;2-(sec-Butyl)malonic acid;butan-2-ylpropanedioic acid;2-butan-2-ylpropanedioic acid;2-sec-butylmalonic acid;NSC128107;2-sec-butylpropanedioic acid;SCHEMBL152857;DTXSID50299088;AKOS015919008;2-(1-methyl-propyl)-propanedioic acid;NSC-128107;FT-0651590;A826409

Chemical Property of Butan-2-ylpropanedioic acid

Chemical Property:

• Vapor Pressure: 5.2E-05mmHg at 25°C
• Boiling Point: 323.8°Cat760mmHg
• Flash Point: 163.9°C
• Density: 1.194g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butan-2-ylpropanedioic acid

There total 3 articles about Butan-2-ylpropanedioic acid 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:

sec-butyl-malonic acid diethyl ester (83-27-2) → sec-butyl-malonic acid (4372-15-0)

Guidance literature:

With potassium hydroxide;

Reference yield:

2-butyl iodide (513-48-4,52152-71-3) + diethyl malonate (105-53-3) → sec-butyl-malonic acid (4372-15-0)

Guidance literature:

With sodium ethanolate; durch Kochen bis zur neutralen Reaktion und Verseifen des Esters mit konz. waessr. Kalilauge;

Reference yield:

→ sec-butyl-malonic acid (4372-15-0)

Guidance literature:

sec-Butylmalonat, 1.) aq.KOH/reflux, 2.) aq.HCl;

upstream raw materials:

sec-butyl-malonic acid diethyl ester

2-butyl iodide

diethyl malonate

Downstream raw materials:

2,3-dimethylbutyric acid

3-methylvaleric acid

DL-alloisoleucine

DL-isoleucine