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| | Ethyl isobutyrylacetate Basic information |
| | Ethyl isobutyrylacetate Chemical Properties |
| Melting point | -9 °C (lit.) | | Boiling point | 173 °C (lit.) | | density | 0.98 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.425(lit.) | | Fp | 128 °F | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Soluble in chloroform and methanol. | | form | Liquid | | pka | 10.61±0.46(Predicted) | | color | Clear colorless to light yellow | | BRN | 636726 | | InChI | InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3 | | InChIKey | XCLDSQRVMMXWMS-UHFFFAOYSA-N | | SMILES | C(OCC)(=O)CC(=O)C(C)C | | CAS DataBase Reference | 7152-15-0(CAS DataBase Reference) | | NIST Chemistry Reference | Pentanoic acid, 4-methyl-3-oxo-, ethyl ester(7152-15-0) |
| Risk Statements | 10 | | Safety Statements | 16 | | RIDADR | UN 3272 3/PG 3 | | WGK Germany | 3 | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29183000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | Ethyl isobutyrylacetate Usage And Synthesis |
| Chemical Properties | clear colorless to yellow liquid | | Uses | Ethyl Isobutyrylacetate is used in the synthesis of piperazine derivatives as possible multireceptor atypical antipsychotics, affecting dopamine and serotonin receptor properties . Also used in the synthesis of pyrazinecarboxamide DGAT1 (diacylglycerol acyltransferase 1) inhibitors used in the treatment of obesity. |
| | Ethyl isobutyrylacetate Preparation Products And Raw materials |
| Raw materials | 4-Pentenoic acid, 3-hydroxy-4-Methyl-, ethyl ester-->DIETHYL ISOBUTYROYLMALONATE-->4-METHYL-3-OXOPENTANENITRILE-->3-Methyl-2-butanone-->Ethyl chloroformate-->Ethyl acetate-->2,2-Dimethyl-1,3-dioxane-4,6-dione-->Isobutyryl chloride-->Ethanol-->Hexamethylphosphoramide | | Preparation Products | 4-ISOPROPYL-1,2,3-THIADIAZOLE-5-CARBOXYLIC ACID-->ETHYL 4-ISOPROPYL-1,2,3-THIADIAZOLE-5-CARBOXYLATE-->Pentanoic acid, 3-hydroxy-4-methyl-, methyl ester-->4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-methylsulfonylpyrimidine |
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