Diethyl benzylmalonate

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
form Colourless Liquid
pka12.56±0.46(Predicted)
color Colorless to Almost colorless
Water Solubility immiscible
BRN 615793
InChIKeyICZLTZWATFXDLP-UHFFFAOYSA-N
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 Yes
HS Code 29173980
MSDS Information
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Diethyl benzylmalonate English
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Diethyl benzylmalonate Usage And Synthesis
Chemical PropertiesColourless Liquid
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.
UsesDiethyl Benzylmalonate (cas# 607-81-8) is a compound useful in organic synthesis.
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.
Thiorphan Disulfide ACETYL SULFIDE Benzyl glycinate p-toluenesulfonate Deacetyl Racecadotril Disulfide Racecadotril Diacid Impurity N-P-TOSYLGLYCINE BENZYL ESTER Glycine, N-[1-oxo-2-(phenylmethyl)-3-[(1-thioxoethyl)thio]propyl]-, phenylmethyl ester 2-Benzylacrylic acid Racecadotril Impurity 14 DIETHYL 2-PHENYL-1,1-CYCLOPROPANEDICARBOXYLATE DIETHYL 4-METHOXYBENZYLMALONATE AURORA KA-4441 diethyl (3,4,5-trimethoxybenzoyl)malonate 2-(4-BROMO-BENZYL)-MALONIC ACID DIETHYL ESTER BENZOYLMALONIC ACID DIETHYL ESTER BUTYL OLEATE AURORA KA-4442 DIETHYL 2-(ACETYLAMINO)-2-[4-(METHOXYCARBONYL)BENZYL]MALONATE

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