135542
Diethyl benzylmalonate
98%
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About This Item
Linear Formula:
C6H5CH2CH(CO2C2H5)2
CAS Number:
Molecular Weight:
250.29
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-142-7
Beilstein/REAXYS Number:
615793
MDL number:
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
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.
hcodes
pcodes
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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