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Merck
CN

13532

苄基丙二酸二乙酯

purum, ≥98.0% (GC)

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线性分子式:
C6H5CH2CH(CO2C2H5)2
化学文摘社编号:
607-81-8
分子量:
250.29
EC Number:
210-142-7
UNSPSC Code:
12352100
PubChem Substance ID:
24848076
Beilstein/REAXYS Number:
615793
MDL number:
MFCD00009166

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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.

pictograms

Environment
GHS09

hcodes

H411

Hazard Classifications

Aquatic Chronic 2

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves

法规信息

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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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