111996

Diethyl phenylmalonate

98%

• Linear Formula: C₆H₅CH(COOC₂H₅)₂
• CAS Number: 83-13-6
• Molecular Weight: 236.26
• Beilstein/REAXYS Number: 614465
• EC Number: 201-456-5
• MDL number: MFCD00009144
• UNSPSC Code: 12352100
• eCl@ss: 39024637
• PubChem Substance ID: 24847056
• NACRES: NA.22

Properties

• assay: 98%
• refractive index: n20/D 1.491 (lit.)
• bp: 170-172 °C/14 mmHg (lit.)
• mp: 16 °C (lit.)
• density: 1.095 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)C(C(=O)OCC)c1ccccc1
• InChI: 1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
• InChI key: FGYDHYCFHBSNPE-UHFFFAOYSA-N

Description

General description

Diethyl phenylmalonate was partially hydrolysed to the corresponding chiral monoester by various immobilized preparations of lipase from Thermomyces lanuginosa.

Application

Diethyl phenylmalonate was used in the synthesis of felbamate-d4 (2-phenyl-1,3-propanediol-l,l,3,3-d4 dicarbamate) using lithium aluminum deuteride.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)