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111996

Diethyl phenylmalonate

Name: Diethyl phenylmalonate
Brand: ALDRICH

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About This Item

Linear Formula:

C₆H₅CH(COOC₂H₅)₂

CAS Number:

83-13-6

Molecular Weight:

236.26

NACRES:

NA.22

PubChem Substance ID:

24847056

eCl@ss:

39024637

UNSPSC Code:

12352100

EC Number:

201-456-5

MDL number:

MFCD00009144

Beilstein/REAXYS Number:

614465

Assay:

98%

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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.)

functional group

ester, phenyl

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.

Storage Class

10 - Combustible liquids

wgk

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)

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