3,3-Dimethyl-2-oxobutyric acid
Trimethylpyruvic acid
CAS: 815-17-8
Molecular Formula: C6H10O3
3,3-Dimethyl-2-oxobutyric acid - Names and Identifiers
| Name | Trimethylpyruvic acid |
| Synonyms | TMPA RARECHEM AL BO 2323 TRIMETHYLPYRUVIC ACID Trimethylpyruvic acid 3,3-dimethyl-2-oxo-butyricaci 3,3-dimethyl-2-oxobutyricacid 3,3-dimethyl-2-oxo-butanoicaci 3,3-Dimethyl-2-oxobutyric acid 3,3-dimethyl-2-oxo-butyric acid 3,3-dimethyl-2-oxobutanoic acid 3,3-DIMETHYL-2-OXO-BUTANOIC ACID Butyric acid, 3,3-dimethyl-2-oxo- |
| CAS | 815-17-8 |
| EINECS | 212-418-2 |
| InChI | InChI=1/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9) |
| InChIKey | IAWVHZJZHDSEOC-UHFFFAOYSA-N |
3,3-Dimethyl-2-oxobutyric acid - Physico-chemical Properties
| Molecular Formula | C6H10O3 |
| Molar Mass | 130.14 |
| Density | 1.06 |
| Melting Point | 90.5°C |
| Boling Point | 80 °C / 15mmHg |
| Flash Point | 13 °C |
| Water Solubility | Soluble in water |
| Vapor Presure | 0.374mmHg at 25°C |
| Appearance | White to yellowish waxy solid or liquid |
| Color | White or Colorless to Almost white or Almost colorless |
| pKa | 2.65±0.54(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.4270-1.4320 |
| Physical and Chemical Properties | This product is needle-like crystal, m. P. 125 ℃, difficult to dissolve in ether and chloroform, the sodium salt is long Flake, soluble in water. |
3,3-Dimethyl-2-oxobutyric acid - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3261 |
| TSCA | Yes |
| Hazard Class | 8 |
| Packing Group | III |
3,3-Dimethyl-2-oxobutyric acid - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | trimethylpyruvic acid is an organic synthesis intermediate and pharmaceutical intermediate, which can be used in laboratory research and development of synthetic process and chemical biological research and development process. |
| preparation method | a synthesis process of trimethylpyruvic acid, comprising 1) Adding 250-350kg of dichloroefanone and 250-350kg of water to a reaction kettle, stir to 50? After 80 ℃, keep the temperature, add 800-1000kg of liquid alkali with concentration of 30% Dropwise within 5H, continue the reaction for 3h after adding, obtain aqueous solution containing intermediate; 2) add 200-300kg of potassium permanganate to the aqueous solution containing intermediate, during the period of 50? 60 ℃,5H added, continue the reaction for 3H, filter, collect the filtrate, adjust the filtrate pH = 1, extract the filtrate with 500kg dichloromethane to obtain the organic layer, the organic layer was distilled to 100 ℃ under atmospheric pressure, the temperature was cooled to 40 ° C., and 280-320kg of petroleum ether was slowly added, and the reaction was stirred at 5-10 ° C. For 5h, and centrifuged to obtain the product. |
| Use | 3, 3-dimethylbutanoic acid is an intermediate of the herbicide profezin. |
| production method | the preparation method is to add dichlorocyclocyanone into the reaction kettle, and then add water and a certain amount of alkali solution, heating hydrolysis under dilute alkali aqueous solution to produce sodium 3, 3-dimethyl-2-hydroxybutyrate, and then adding sodium hypochlorite solution Dropwise, oxidizing at low temperature and in the presence of catalyst, the 2-hydroxy group is oxidized to 2-oxygen, and after the oxidation is completed, the catalyst is filtered off, and the resulting filtrate, sodium 3, 3-dimethylbutanone, is further acidified to obtain a finished product. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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