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| | 1,3-Acetonedicarboxylic acid Basic information |
| Product Name: | 1,3-Acetonedicarboxylic acid | | Synonyms: | 1,3-Acetonediacrboxylicacid;3-oxo-pentanedioicaci;3-Oxopentane-1,5-dioic acid;1,3-ACETONEDICARBOXYLIC ACID, 3-KETOGLUTARIC ACID;Acetone-1,3-dicarboxylicacid,97%;2-OXO-1,3-PROPANE DICARBOXYLIC ACID;1,3-Acetonedicarboxylic;Pentanedioic acid, 3-oxo- | | CAS: | 542-05-2 | | MF: | C5H6O5 | | MW: | 146.1 | | EINECS: | 208-797-9 | | Product Categories: | Pharmaceutical Intermediates;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;API intermediates;pharmaceutical;Pharmaceutical raw materials;bc0001;542-05-2 | | Mol File: | 542-05-2.mol |  |
| | 1,3-Acetonedicarboxylic acid Chemical Properties |
| Melting point | 133 °C (dec.) (lit.) | | Boiling point | 185.67°C (rough estimate) | | density | 1.2821 (rough estimate) | | vapor pressure | 0.005Pa at 25℃ | | refractive index | 1.3920 (estimate) | | storage temp. | -20°C | | solubility | DMSO (Slightly, Heated), Methanol (Slightly) | | pka | pK (25°) 3.10 | | form | Crystalline Powder | | color | White | | Water Solubility | soluble | | Sensitive | Hygroscopic | | Merck | 14,68 | | BRN | 1447081 | | Stability: | Unstable in Solution | | InChIKey | OXTNCQMOKLOUAM-UHFFFAOYSA-N | | LogP | -0.5 at 30℃ | | CAS DataBase Reference | 542-05-2(CAS DataBase Reference) | | EPA Substance Registry System | Pentanedioic acid, 3-oxo- (542-05-2) |
| | 1,3-Acetonedicarboxylic acid Usage And Synthesis |
| Chemical Properties | white to off-white powder | | Uses | Acetone-1,3-dicarboxylic acid is used as a building block in organic chemistry. It is also used in the synthesis of hetrocyclic rings and in the Weiss-Cook reaction, which involves the preparation of cis-bicyclo[3.3.0]octane-3,7-dione by reacting with diacyl (1,2 ketone). Its presence in human urine is used as a diagnostic test for the overgrowth of harmful gut flora such as Candida albicans. | | Uses | β-Ketoglutaric Acid is used in the synthesis of benzodiazepine derivatives. Also used in the synthesis of orally available hepatitis C virus polymerase inhibitors. | | Definition | ChEBI: 3-Oxoglutaric acid is an oxo carboxylic acid. | | Flammability and Explosibility | Nonflammable | | Purification Methods | Crystallise it from ethyl acetate and store it over P2O5. It decarboxylates in hot water. [Beilstein 3 IV 1816.] |
| | 1,3-Acetonedicarboxylic acid Preparation Products And Raw materials |
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