| 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 |
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