All Photos(1)
Linear Formula:
C6H5CH2CH(CO2C2H5)2
CAS Number:
Molecular Weight:
250.29
Beilstein:
615793
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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.
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2
WGK
WGK 3
Flash Point(F)
235.4 °F
Flash Point(C)
113 °C
Personal Protective Equipment
dust mask type N95 (US), 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
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
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)
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