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Diethyl acetamidomalonate

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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
Mol File:
1068-90-2.mol
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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)
Flash point:
185°C/20mm
storage temp. 
Sealed in dry,Room Temperature
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)
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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

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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.]

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