2-Methylglutaric acid

Base Information

• Chemical Name: 2-Methylglutaric acid
• CAS No.: 617-62-9
• Deprecated CAS: 18069-17-5
• Molecular Formula: C₆H₁₀O₄
• Molecular Weight: 146.143
• Hs Code.: 2917198090
• European Community (EC) Number: 210-521-7,620-991-9
• NSC Number: 408456,5941
• UNII: U6769P7A6Y
• DSSTox Substance ID: DTXSID4021632
• Nikkaji Number: J22.514B
• Wikidata: Q22329225
• Metabolomics Workbench ID: 2005
• ChEMBL ID: CHEMBL1971317
• Mol file: 617-62-9.mol

Synonyms:2-methylene glutarate;2-methyleneglutarate;2-methyleneglutaric acid;alpha-methylene glutarate;alpha-methylene glutarate, ion(2-)

Chemical Property of 2-Methylglutaric acid

Chemical Property:

• Vapor Pressure: 2.76E-05mmHg at 25°C
• Melting Point: 80-82 °C(lit.)
• Boiling Point: 214-215 °C22 mm Hg(lit.)
• PKA: 4.57±0.10(Predicted)
• Flash Point: 149℃
• PSA: 74.60000
• Density: 1.246
• LogP: 0.57190
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in water.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 141

Purity/Quality:

99.9% ^*data from raw suppliers

2-Methylglutaric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)O)C(=O)O
• Uses: 2-Methylglutaric acid is used as primary and secondary intermediates in pharmaceutical and chemical research.

Technology Process of 2-Methylglutaric acid

There total 1 articles about 2-Methylglutaric 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:

(-)-2-Methyl-glutarsaeure-1-methylester-5-<4-methoxycarbonyl-1,5-dimethylhexylester> (109943-05-7) → (+)-2-Methyl-glutarsaeure (617-62-9,1115-81-7,1115-82-8,18069-17-5)

Guidance literature:

Multistep reaction; (i) aq. K₂CO₃, (ii) MeI, (iii) K₂CO₃;

DOI:10.1016/S0040-4020(01)93252-1

upstream raw materials:

(-)-2-Methyl-glutarsaeure-1-methylester-5-<4-methoxycarbonyl-1,5-dimethylhexylester>