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
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) |
 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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