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135542 Sigma-Aldrich

Diethyl benzylmalonate

98%

  • CAS Number 607-81-8

  • Linear Formula C6H5CH2CH(CO2C2H5)2

  • Molecular Weight 250.29

  •  Beilstein/REAXYS Number 615793

  •  EC Number 210-142-7

  •  MDL number MFCD00009166

  •  PubChem Substance ID 24848208

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters,
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

Description

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.

Packaging

25 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
3
Flash Point(F) 
235.4 °F
Flash Point(C) 
113 °C

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Protocols & Articles
Peer-Reviewed Papers
15

References

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