Diethyl acetamidomalonate

CAS No.：1068-90-2

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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 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
Mol File:	1068-90-2.mol

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)
pka	11.93±0.59(Predicted)
form	Crystalline Powder
color	White to light yellow
Water Solubility	Soluble in chloroform and methanol. Slightly soluble in water.
BRN	783883
InChIKey	ISOLMABRZPQKOV-UHFFFAOYSA-N
CAS DataBase Reference	1068-90-2(CAS DataBase Reference)
NIST Chemistry Reference	Propanedioic acid, (acetylamino)-, diethyl ester(1068-90-2)
EPA Substance Registry System	Propanedioic 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 Data	1068-90-2(Hazardous Substances Data)
Toxicity	eye-rbt 500 mg/24H MLD 28ZPAK -,130,72

MSDS Information

Provider	Language
Acetamidomalonic acid diethyl ester	English
ACROS	English
SigmaAldrich	English
ALFA	English

Diethyl acetamidomalonate Usage And Synthesis

Chemical Properties	white to light yellow crystalline powder
Uses	Diethyl 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 Profile	An eye irritant. When heated todecomposition it emits toxic fumes of NOx.
Purification Methods	Crystallise the ester from *benzene/pet ether. [Beilstein 4 III 2993.]

Diethyl acetamidomalonate Preparation Products And Raw materials

Raw materials

Propanedioic acid, 2-amino-, 1-ethyl ester-->Diethyl aminomalonate hydrochloride-->Diethyl nitromalonate-->Diethyl Isonitrosomalonate-->Diethyl malonate-->2-AMINODIETHYLMALONATE

Preparation Products

Diethyl(acetylamino)((2-((bis(2-hydroxyethyl)amino)methyl)-5-nitrophenyl)methyl)propanedioate-->Rebamipide-->DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE-->Diethyl(acetylamino)((2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)methyl)propanedioate-->DIETHYL 2-(ACETAMINDO)-2-(2-METHYL-5-NITROBENZYL)MALONATE-->1,4-Dioxane-->Glycine hydrochloride-->diethyl 2-acetamido-2-phenethyl-propanedioate-->N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide-->2-Aminohexadecanoic acid

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