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 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
pka	12.56±0.46(Predicted)
color	Colorless to Almost colorless
Water Solubility	immiscible
BRN	615793
InChIKey	ICZLTZWATFXDLP-UHFFFAOYSA-N
LogP	2.76
CAS DataBase Reference	607-81-8(CAS DataBase Reference)
NIST Chemistry Reference	Propanedioic acid, (phenylmethyl)-, diethyl ester(607-81-8)
EPA Substance Registry System	Propanedioic 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

Provider	Language
Diethyl benzylmalonate	English
SigmaAldrich	English
ACROS	English
ALFA	English

Diethyl benzylmalonate Usage And Synthesis

Chemical Properties	Colourless Liquid
Uses	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.
Uses	Diethyl 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 Description	Diethyl benzylmalonate on condensation with 2-amino-benzimidazole yields 3-benzyl-4-hydroxypyrimido[1,2-a]benzimidazole-2-one.

Diethyl benzylmalonate Preparation Products And Raw materials

Raw materials	Potassium carbonate-->Malonic acid-->Benzyl bromide-->Ammonium bromide
Preparation Products	Diethyl(acetylamino)((2-((bis(2-hydroxyethyl)amino)methyl)-5-nitrophenyl)methyl)propanedioate-->DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE-->Diethyl(acetylamino)((2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)methyl)propanedioate-->4-Hydroxy-3-benzylcoumarin-->2-Benzylacrylic acid-->2-[2-(DiMethylaMino)ethyl]-1-indanone-->Benzylmalonic acid-->3-benzylpentanedioic acid

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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