13532
Diethyl benzylmalonate
purum, ≥98.0% (GC)
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About This Item
Linear Formula:
C6H5CH2CH(CO2C2H5)2
CAS Number:
Molecular Weight:
250.29
EC Number:
210-142-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
615793
MDL number:
grade
purum
assay
≥98.0% (GC)
refractive index
n20/D 1.486
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 as starting reagent in 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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Enzymatic asymmetrization of prochiral 2-benzyl-1, 3-propanediol through esterification in solvent media.
Ducret A, et al.
Biotechnology Letters, 22(8), 709-713 (2000)
A Kreutzberger et al.
Arzneimittel-Forschung, 33(11), 1517-1518 (1983-01-01)
Within the structural class of pyrimidol[1,2-a]benzimidazole-2,4-diones accessible through condensation of 2-amino-benzimidazole (1) with malonates (2) there occur representatives exhibiting centrally dampening properties. In particular, aromatic moieties have now been included into the present investigations. By condensation of 1 with diethyl
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