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135542

Sigma-Aldrich

Diethyl benzylmalonate

98%

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About This Item

Linear Formula:
C6H5CH2CH(CO2C2H5)2
CAS Number:
607-81-8
Molecular Weight:
250.29
Beilstein/REAXYS Number:
615793
EC Number:
210-142-7
MDL number:
MFCD00009166
UNSPSC Code:
12352100
PubChem Substance ID:
24848208
NACRES:
NA.22

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

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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
GHS09

hcodes

H411

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves

Certificates of Analysis (COA)

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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)
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
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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