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Diethyl 2-ethyl-2-phenylmalonate

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CAS:76-67-5
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CAS:76-67-5
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Diethyl 2-ethyl-2-phenylmalonate Basic information
Product Name:Diethyl 2-ethyl-2-phenylmalonate
Synonyms:TIMTEC-BB SBB008439;DIETHYL PHENYL ETHYL MALONATE;DIETHYL ETHYLPHENYLMALONATE;DIETHYL ETHYLPHENYLPROPANEDIOATE;DIETHYL 2-ETHYL-2-PHENYLMALONATE;ETHYL(PHENYL)MALONIC ACID DIETHYL ESTER;ETHYL ETHYLPHENYLMALONATE;ethylphenyl-propanedioicacidiethylester
CAS:76-67-5
MF:C15H20O4
MW:264.32
EINECS:200-978-0
Product Categories:Pharmaceutical Intermediates;API intermediates;C12 to C63;Carbonyl Compounds;Esters
Mol File:76-67-5.mol
Diethyl 2-ethyl-2-phenylmalonate Structure
Diethyl 2-ethyl-2-phenylmalonate Chemical Properties
Melting point -7 °C
Boiling point 185 °C/15 mmHg (lit.)
density 1.07 g/mL at 25 °C (lit.)
refractive index n20/D 1.491(lit.)
Fp >230 °F
storage temp. Refrigerator
solubility Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form Oil
color Colourless
BRN 668299
InChI1S/C15H20O4/c1-4-15(13(16)18-5-2,14(17)19-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyPKRVDBARWFJWEB-UHFFFAOYSA-N
SMILESCCOC(=O)C(CC)(C(=O)OCC)c1ccccc1
CAS DataBase Reference76-67-5(CAS DataBase Reference)
NIST Chemistry ReferenceEthylphenylmalonic acid diethyl ester(76-67-5)
EPA Substance Registry SystemPropanedioic acid, ethylphenyl-, diethyl ester (76-67-5)
Safety Information
Risk Statements 36/37/38
Safety Statements 24/25
WGK Germany 3
TSCA TSCA listed
HS Code 29173990
Storage Class10 - Combustible liquids
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
Diethyl 2-ethyl-2-phenylmalonate Usage And Synthesis
Chemical PropertiesColorless liquid
UsesDiethyl Ethylphenylmalonate is used in the synthesis of Barbital (B118500) and barbiturate compounds displaying pharmacological properties.
Synthesis Reference(s)The Journal of Organic Chemistry, 28, p. 714, 1963 DOI: 10.1021/jo01038a028
Diethyl 2-ethyl-2-phenylmalonate Preparation Products And Raw materials
Raw materialsDiethyl oxalate-->Bromoethane-->Benzeneacetonitrile-->Diethyl carbonate-->Ethyl phenylacetate-->Diethyl phenylmalonate
Preparation ProductsPhenobarbital-->Primidone
Tag:Diethyl 2-ethyl-2-phenylmalonate(76-67-5) Related Product Information
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