|
|
| | 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 | | Physical properties | Acetonedicarboxylic
acid forms colorless crystals that are readily soluble in water and ethanol, and sparingly soluble in
trichloromethane and diethyl ether. It melts with
decomposition at 138 ℃. | | 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. | | 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. | | Definition | ChEBI: 3-Oxoglutaric acid is an oxo carboxylic acid. | | Production Methods | Acetonedicarboxylic acid is
produced from citric acid [77-92-9] by many
industrial processes that differ only slightly. Citric acid is treated with oleum and
reacts to yield acetonedicarboxylic acid via decarbonylation and dehydration.
Other possible production methods include
reaction of acetone with carbon dioxide, oxidation of citric acid with chlorosulfuric
acid, or reaction of ketene with phosgene. | | Flammability and Explosibility | Non flammable | | 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 |
|