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| | Diethyl 1,3-acetonedicarboxylate Basic information |
| Product Name: | Diethyl 1,3-acetonedicarboxylate | | Synonyms: | Diethyl 1,3-acetonedicarboxylate ,94%;Diethyl 1,3-acetonedicarboxylate ,96%;Diethyl 1,3-acetonedicarboxylate,Diethyl 3-oxoglutarate;Diethyl-3-oxo-pentan;Diethyl β-ketoglutarate;Diethyl 3-oxopentane-1,5-dioate, Diethyl acetone-1,3-dicarboxylate;Diethyl 1,3-acetonedicarboxylate, 95% 50ML;3-Oxopentanedioic acid, diethyl ester | | CAS: | 105-50-0 | | MF: | C9H14O5 | | MW: | 202.2 | | EINECS: | 203-302-2 | | Product Categories: | Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks;Pharmaceutical Intermediates;straight chain compounds;API intermediates;API;bc0001 | | Mol File: | 105-50-0.mol |  |
| | Diethyl 1,3-acetonedicarboxylate Chemical Properties |
| Melting point | 125 °C | | Boiling point | 250 °C (lit.) | | density | 1.113 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.440(lit.) | | Fp | 187 °F | | storage temp. | Sealed in dry,2-8°C | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) | | pka | 9.66±0.46(Predicted) | | form | Liquid | | color | Clear colorless to pale yellow | | Water Solubility | 10 g/L (20 ºC) | | Sensitive | Moisture Sensitive | | BRN | 640146 | | InChI | 1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3 | | InChIKey | ZSANYRMTSBBUCA-UHFFFAOYSA-N | | SMILES | CCOC(=O)CC(=O)CC(=O)OCC | | CAS DataBase Reference | 105-50-0(CAS DataBase Reference) | | NIST Chemistry Reference | Pentanedioic acid, 3-oxo-, diethyl ester(105-50-0) | | EPA Substance Registry System | Pentanedioic acid, 3-oxo-, diethyl ester (105-50-0) |
| Hazard Codes | F,Xi | | Risk Statements | 36/37/38 | | Safety Statements | 23-24/25-36-26 | | RIDADR | UN 2810 | | WGK Germany | 3 | | Hazard Note | Flammable/Moisture Sensitive | | TSCA | TSCA listed | | HS Code | 29183000 | | Storage Class | 10 - Combustible liquids |
| | Diethyl 1,3-acetonedicarboxylate Usage And Synthesis |
| Chemical Properties | clear colorless to pale yellow liquid | | Uses | Diethyl 1,3-acetonedicarboxylate was used in the synthesis of novel pyrido[4,3,2-de]quinoline, isoquinolino[6,5,4,3-cde] quinoline and pyrazomycin. It was used as starting reagent in the synthesis of (±)-thienamycin, potent β-lactam antibiotic. |
| | Diethyl 1,3-acetonedicarboxylate Preparation Products And Raw materials |
| Raw materials | 1,3-Acetonedicarboxylic acid-->1,1,5,5-Tetrachloropenta-1,4-dien-3-on-->Pentanedioic acid, 3-(carboxymethyl)-3-hydroxy--->Malonyl chloride | | Preparation Products | 6-CHLORO-4-ETHOXYNICOTINIC ACID-->ETHYL 6-CHLORO-4-ETHOXYPYRIDINE-3-CARBOXYLATE-->Ethyl 4,6-dichloronicotinate-->4,6-Dichloronicotinic acid-->4, 6-DIHYDROXYNICOTINIC ACID ETHYL ESTER-->URACIL-4-ACETIC ACID-->3-METHYLPENTANE-1,3,5-TRIOL-->Ethyl 4,6-dihydroxy-2-(trifluoromethyl)nicotinate-->4,6-dihydroxypyridazine-3-carboxylicacid-->3-AMINOPENTANEDIOIC ACID-->4,6-DICHLORO-3-PYRIDINEMETHANOL-->1,5-DIHYDROXY-PENTAN-3-ONE-->6-Chloro-1H-pyrazolo[4,3-c]pyridine-->Chelidonic acid |
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