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HomeProduct name listDiethyl acetamidomalonate

Diethyl acetamidomalonate

Synonym(s):Acetamidomalonic acid diethyl ester

  • CAS NO.:1068-90-2
  • Empirical Formula: C9H15NO5
  • Molecular Weight: 217.22
  • MDL number: MFCD00009146
  • EINECS: 213-952-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-31 18:15:48
Diethyl acetamidomalonate Structural

What is Diethyl acetamidomalonate?

Chemical properties

white to light yellow crystalline powder

The Uses of Diethyl acetamidomalonate

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.]

Properties of Diethyl acetamidomalonate

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
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
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 for Diethyl acetamidomalonate

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H290:Corrosive to Metals
H314:Skin corrosion/irritation
Precautionary Statement Codes P234:Keep only in original container.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
P390:Absorb spillage to prevent material damage.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P405:Store locked up.
P406:Store in corrosive resistant/… container with a resistant inner liner.

Computed Descriptors for Diethyl acetamidomalonate

InChIKey ISOLMABRZPQKOV-UHFFFAOYSA-N

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