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Merck
CN

135542

苄基丙二酸二乙酯

98%

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关于此项目

线性分子式:
C6H5CH2CH(CO2C2H5)2
化学文摘社编号:
分子量:
250.29
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-142-7
Beilstein/REAXYS Number:
615793
MDL number:
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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.


pictograms

Environment

hcodes

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



历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Hui Tian et al.
Dalton transactions (Cambridge, England : 2003), 47(3), 675-683 (2017-12-23)
A visible light induced three-component catalytic system with the cobalamin derivative (B
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)
Dioxygen adducts of nickel (II) and cobalt (II) dioxopentaazamacrocyclic complexes: Kinetics, stabilities, and hydroxylation of the ligands in the nickel dioxygen complexes.
Chen D, et al.
Inorganic Chemistry, 30(6), 1396-1402 (1991)