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111996 Sigma-Aldrich

Diethyl phenylmalonate

98%

  • CAS Number 83-13-6

  • Linear Formula C6H5CH(COOC2H5)2

  • Molecular Weight 236.26

  •  Beilstein/REAXYS Number 614465

  •  EC Number 201-456-5

  •  MDL number MFCD00009144

  •  eCl@ss 39024637

  •  PubChem Substance ID 24847056

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   200
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.

Packaging

5, 100 g in glass bottle

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
235.4 °F - closed cup
Flash Point(C) 
113 °C - closed cup
Protocols & Articles
Peer-Reviewed Papers
15

References

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