Diethyl acetamidomalonate

Diethyl acetamidomalonate Basic information
Product Name:Diethyl acetamidomalonate
Synonyms:Diethyl acetamidomalonate in stock Factory;PROPANEDIOIC ACID, (ACETYLAMINO)-, DIETHYL ESTER;Diethyl2-acetylaminomalonate HCL;diethyl acetamidomalonic acid;dlethyl acetamidomalonate;Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester;Diethyl (N-acetylamino)propanedioate;Ethylacetylaminomalonate
CAS:1068-90-2
MF:C9H15NO5
MW:217.22
EINECS:213-952-9
Product Categories:ester series;Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;Pharmaceutical Intermediates;Other Reagents;Amino ester;Organic Building Blocks;Pyridines;bc0001;1068-90-2
Mol File:1068-90-2.mol
Diethyl acetamidomalonate Structure
Diethyl acetamidomalonate Chemical Properties
Melting point 95-98 °C (lit.)
Boiling point 185 °C/20 mmHg (lit.)
density 1.2850 (rough estimate)
refractive index 1.4640 (estimate)
Fp 185°C/20mm
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), Methanol (Slightly)
pka11.93±0.59(Predicted)
form Crystalline Powder
color White to light yellow
Water Solubility Soluble in chloroform and methanol. Slightly soluble in water.
BRN 783883
InChIKeyISOLMABRZPQKOV-UHFFFAOYSA-N
CAS DataBase Reference1068-90-2(CAS DataBase Reference)
NIST Chemistry ReferencePropanedioic acid, (acetylamino)-, diethyl ester(1068-90-2)
EPA Substance Registry SystemPropanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester (1068-90-2)
Safety Information
Hazard Codes Xi
Risk Statements 36-36/37/38
Safety Statements 39-36-26-44
WGK Germany 3
RTECS OO0360000
TSCA Yes
HazardClass IRRITANT
HS Code 29241900
Hazardous Substances Data1068-90-2(Hazardous Substances Data)
Toxicityeye-rbt 500 mg/24H MLD 28ZPAK -,130,72
MSDS Information
ProviderLanguage
Acetamidomalonic acid diethyl ester English
ACROS English
SigmaAldrich English
ALFA English
Diethyl acetamidomalonate Usage And Synthesis
Chemical Propertieswhite to light yellow crystalline powder
UsesDiethyl 2-Acetamidomalonate, is a versatile building block used for the synthesis of various pharmaceutical and biologically active compounds. It is an intermediate for the preparation of Novobiocin analogues as potential heat shock protein 90 inhibitors. It is also used as a important intermediates in syntheses of vitamins B1 and B6, barbiturates, non-steroidal anti-inflammatory agents, other numerous pharmaceuticals.
Safety ProfileAn eye irritant. When heated todecomposition it emits toxic fumes of NOx.
Purification MethodsCrystallise the ester from *benzene/pet ether. [Beilstein 4 III 2993.]
Diethyl acetylmalonate Acetaminophen 2-AMINODIETHYLMALONATE Diethyl acetamidomalonate Tris(trimethylsilyl)phosphate Diethyl methylmalonate Diethyl fluoromalonate Diethyl ether Mefenpyr-diethyl Diethyl chloromalonate DIETHYL BENZAMIDOMALONATE DIETHYL 2-(ACETYLAMINO)-2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)MALONATE Celiprolol Methyl acrylate Diethyl malonate Ethylene glycol diethyl ether Dimethyl succinate DIETHYL BROMOMALONATE

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