Diethyl phenylmalonate

CAS No.：83-13-6

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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Diethyl phenylmalonate Basic information

Product Name:	Diethyl phenylmalonate
Synonyms:	PHENYL MALONIC ESTER;2-Phenyl-malonicaciddiethylester;Diethyl phenylMalonate, 98% 100ML;Phenyl Malonic diethyl ester;Diethylephenylmalonate;2-ethyl-2-(2-ethylphenyl)propanedioate;PHENYLMALONIC ACID DIETHYL ESTER;RARECHEM AL BI 1370
CAS:	83-13-6
MF:	C13H16O4
MW:	236.26
EINECS:	201-456-5
Product Categories:	C12 to C63;Carbonyl Compounds;Pharmaceutical Intermediates;Esters
Mol File:	83-13-6.mol

Diethyl phenylmalonate Chemical Properties

Melting point	16 °C (lit.)
Boiling point	170-172 °C/14 mmHg (lit.)
density	1.095 g/mL at 25 °C (lit.)
refractive index	n20/D 1.491(lit.)
Fp	>230 °F
storage temp.	Sealed in dry,Room Temperature
form	Liquid After Melting
pka	11.84±0.46(Predicted)
color	Clear colorless to yellow
Water Solubility	immiscible
BRN	614465
LogP	2.71 at 20℃
CAS DataBase Reference	83-13-6(CAS DataBase Reference)
NIST Chemistry Reference	Propanedioic acid, phenyl-, diethyl ester(83-13-6)
EPA Substance Registry System	Propanedioic acid, phenyl-, diethyl ester (83-13-6)

Safety Information

Safety Statements	23-24/25
WGK Germany	3
TSCA	Yes
HS Code	29173980

MSDS Information

Provider	Language
Diethyl phenylmalonate	English
ACROS	English
SigmaAldrich	English
ALFA	English

Diethyl phenylmalonate Usage And Synthesis

Chemical Properties	clear colourless to yellowish liquid after melting
Uses	Diethyl phenylmalonate was used in the synthesis of felbamate-d4 (2-phenyl-1,3-propanediol-l,l,3,3-d4 dicarbamate) using lithium aluminum deuteride.
General Description	Diethyl phenylmalonate was partially hydrolysed to the corresponding chiral monoester by various immobilized preparations of lipase from Thermomyces lanuginosa.

Diethyl phenylmalonate Preparation Products And Raw materials

Raw materials	Ethyl phenylacetate-->Diazomalonic acid diethyl-->1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate-->1-CARBETHOXYIMIDAZOLE-->Phenyltrimethoxysilane-->Diethyl malonate
Preparation Products	Phenobarbital-->Felbamate-->Diethyl 2-ethyl-2-phenylmalonate-->2-Phenyl-1,3-propanediol-->2-Isopropyl-2-phenylacetic acid-->Phenethyl alcohol

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