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135542

Sigma-Aldrich

Diethyl benzylmalonate

98%

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About This Item

Linear Formula:
C6H5CH2CH(CO2C2H5)2
CAS Number:
607-81-8
Molecular Weight:
250.29
Beilstein:
615793
EC Number:
210-142-7
MDL number:
MFCD00009166
UNSPSC Code:
12352100
PubChem Substance ID:
24848208
NACRES:
NA.22

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

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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.

Pictograms

Environment
GHS09

Hazard Statements

H411

Precautionary Statements

P273 - P391 - P501

Hazard Classifications

Aquatic Chronic 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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