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Merck
CN

135542

Sigma-Aldrich

苄基丙二酸二乙酯

98%

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About This Item

线性分子式:
C6H5CH2CH(CO2C2H5)2
CAS号:
分子量:
250.29
Beilstein:
615793
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

方案

98%

折射率

n20/D 1.486 (lit.)

沸点

162-163 °C/10 mmHg (lit.)

密度

1.064 g/mL at 25 °C (lit.)

SMILES字符串

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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一般描述

Diethyl benzylmalonate on condensation with 2-amino-benzimidazole yields 3-benzyl-4-hydroxypyrimido[1,2-a]benzimidazole-2-one.

应用

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.

象形图

Environment

危险声明

预防措施声明

危险分类

Aquatic Chronic 2

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup

个人防护装备

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
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)
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
Jonathan R LaRochelle et al.
Bioorganic & medicinal chemistry, 25(24), 6479-6485 (2017-11-02)
The PTPN11 oncogene encodes the cytoplasmic protein tyrosine phosphatase SHP2, which, through its role in multiple signaling pathways, promotes the progression of hematological malignancies and other cancers. Here, we employ high-throughput screening to discover a lead chemical scaffold, the benzothiazolopyrimidones

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