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135542

Diethyl benzylmalonate

Name: Diethyl benzylmalonate
Brand: ALDRICH

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About This Item

Linear Formula:

C₆H₅CH₂CH(CO₂C₂H₅)₂

CAS Number:

607-81-8

Molecular Weight:

250.29

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24848208

EC Number:

210-142-7

Beilstein/REAXYS Number:

615793

MDL number:

MFCD00009166

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Properties

assay

98%

refractive index

n20/D 1.486 (lit.)

bp

162-163 °C/10 mmHg (lit.)

density

1.064 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)C(Cc1ccccc1)C(=O)OCC

InChI

1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChI key

ICZLTZWATFXDLP-UHFFFAOYSA-N

Description

General description

Diethyl benzylmalonate on condensation with 2-amino-benzimidazole yields 3-benzyl-4-hydroxypyrimido[1,2-a]benzimidazole-2-one.

Application

Diethyl benzylmalonate was used in the synthesis of macrocyclic ligands and determination of stability constants of their Cu(II), Ni(II) and Co(II) complexes. It was used as starting reagent for the synthesis of 2-benzyl-1,3-propane diol.

Hazard Classifications

Aquatic Chronic 2

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

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