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Diethyl benzylmalonate

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Products Intro: Product Name:Diethyl benzylmalonate
CAS:607-81-8
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CAS:607-81-8
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CAS:607-81-8
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CAS: 607-81-8
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Products Intro: Product Name:Diethyl benzylmalonate
CAS:607-81-8
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Diethyl benzylmalonate Basic information
Product Name:Diethyl benzylmalonate
Synonyms:BENZYLMALONIC ACID DIETHYL ESTER;DIETHYL BENZYLMALONATE;AKOS BBS-00006590;(phenylmethyl)-propanedioicacidiethylester;Diethyl 2-benzylmalonate;Malonic acid, 2-benzyl-, diethyl ester;Malonic acid, benzyl-, diethyl ester;1,1-Bis(ethoxycarbonyl)-2-phenylethane
CAS:607-81-8
MF:C14H18O4
MW:250.29
EINECS:210-142-7
Product Categories:Building Blocks;C12 to C63;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Pharmaceutical Intermediates;Aromatic Esters;TheMalonateRamificationProducts;Aromatics Compounds;Aromatics;C12 to C63;Carbonyl Compounds;Esters;bc0001
Mol File:607-81-8.mol
Diethyl benzylmalonate Structure
Diethyl benzylmalonate Chemical Properties
Boiling point 162-163 °C/10 mmHg (lit.)
density 1.064 g/mL at 25 °C (lit.)
vapor pressure 0.26Pa at 25℃
refractive index n20/D 1.486(lit.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform, Methanol
pka12.56±0.46(Predicted)
form Colourless Liquid
color Colorless to Almost colorless
Water Solubility immiscible
BRN 615793
InChI1S/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
InChIKeyICZLTZWATFXDLP-UHFFFAOYSA-N
SMILESCCOC(=O)C(Cc1ccccc1)C(=O)OCC
LogP2.76
CAS DataBase Reference607-81-8(CAS DataBase Reference)
NIST Chemistry ReferencePropanedioic acid, (phenylmethyl)-, diethyl ester(607-81-8)
EPA Substance Registry SystemPropanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester (607-81-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 24/25-36-26
WGK Germany 3
TSCA TSCA listed
HS Code 29173980
Storage Class10 - Combustible liquids
Hazard ClassificationsAquatic Chronic 2
MSDS Information
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Diethyl benzylmalonate English
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Diethyl benzylmalonate Usage And Synthesis
Chemical PropertiesColourless Liquid
UsesDiethyl Benzylmalonate (cas# 607-81-8) is a compound useful in organic synthesis.
UsesDiethyl 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.
Synthesis Reference(s)The Journal of Organic Chemistry, 31, p. 620, 1966 DOI: 10.1021/jo01340a523
General DescriptionDiethyl benzylmalonate on condensation with 2-amino-benzimidazole yields 3-benzyl-4-hydroxypyrimido[1,2-a]benzimidazole-2-one.
Tag:Diethyl benzylmalonate(607-81-8) Related Product Information
DIETHYL DIETHYLMALONATE Tris(trimethylsilyl)phosphate Diethyl ketomalonate BUTYL OLEATE DIETHYL DIMETHYLMALONATE DIETHYL BROMOMALONATE Diethyl butylmalonate Diethyl ethylmalonate Diethyl 2-ethyl-2-phenylmalonate Diethyl phenylmalonate Malonic acid Diethyl isopropylmalonate Diethyl bis(hydroxymethyl)malonate Diethyl methylmalonate Dimethyl malonate Methyl acrylate Diethyl malonate Diethyl dipropylmalonate