Ethyl 2-hydroxyvalerate

CAS: 6938-26-7

Ref. 3D-FE159889

Product Information

• Name: Ethyl 2-hydroxyvalerate
• Synonyms: 2-Hydroxypentanoic acid ethyl ester, 2-Hydroxyvaleric acid ethyl ester, 2-methylcyclohexa-2,5-diene-1,4-dione 4-[O-(naphthalen-2-ylcarbonyl)oxime], Ethyl 2-Hydroxypentanoate, Ethyl α-hydroxyvalerate, NSC 53939, Pentanoic acid, 2-hydroxy-, ethyl ester

Description

Ethyl 2-hydroxyvalerate is an organic compound that is a derivative of malic acid. It is used in the synthesis of fatty acids and ethyl esters, as well as in the production of amides. The compound has been shown to have a functional role in gabapentin metabolism by hydrolyzing it to form 2-hydroxygabapentin. The enzyme responsible for this reaction has been identified as citrate lyase, which also interacts with other compounds (e.g., citric acid) to regulate its activity. An experimental predictive model was developed using structural properties of the substrate and product, and validated using different chromatographic methods to generate a three-dimensional structure.

• Brand: Biosynth

Chemical properties

• Molecular weight: 146.18 g/mol
• Formula: C₇H₁₄O₃
• Purity: Min. 95%
• InChI: InChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3
• InChI key: InChIKey=MQGTZMCASHTGBJ-UHFFFAOYSA-N
• SMILES: CCCC(O)C(=O)OCC