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About This Item
Linear Formula:
C6H5CH2CH(CO2C2H5)2
CAS Number:
Molecular Weight:
250.29
Beilstein:
615793
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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.
Hazard Statements
Precautionary Statements
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
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