3-Pyrazinedicarboxylic acid
2,3-Pyrazinedicarboxylic acid
CAS: 89-01-0
Molecular Formula: C6H4N2O4
3-Pyrazinedicarboxylic acid - Names and Identifiers
| Name | 2,3-Pyrazinedicarboxylic acid |
| Synonyms | AKOS BBS-00001996 RARECHEM AL BO 1311 IFLAB-BB F2124-0042 2,3-dicarboxypyrazine 2,3-Pyrazinedicarboxylic pyrazine-2,3-dicarboxylate 3-Pyrazinedicarboxylic acid 2,3-Pyrazinedcarboxylicacid 2,3-Pyrazinedicarboxylic acid 2,3-PYRAZINEDICARBOXYLIC ACID Pyrazinedicarboxylic acid,2,3- PYRAZINE-2,3-DICARBOXYLIC ACID Pyrazine-2,3-dicarboxylic acid 2,3-PYRAZINEDICARBOXYLIC ACID FOR SYNTHE |
| CAS | 89-01-0 |
| EINECS | 201-875-3 |
| InChI | InChI=1/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)/p-2 |
| InChIKey | ZUCRGHABDDWQPY-UHFFFAOYSA-N |
3-Pyrazinedicarboxylic acid - Physico-chemical Properties
| Molecular Formula | C6H4N2O4 |
| Molar Mass | 168.11 |
| Density | 1.6328 (rough estimate) |
| Melting Point | 188 °C (dec.) (lit.) |
| Boling Point | 297.01°C (rough estimate) |
| Flash Point | 225.4°C |
| Water Solubility | soluble |
| Solubility | soluble |
| Vapor Presure | 7.51E-09mmHg at 25°C |
| Appearance | White crystal |
| Color | Off-White to Pale Brown |
| Merck | 14,7958 |
| BRN | 147982 |
| pKa | 1.66±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4738 (estimate) |
| MDL | MFCD00006131 |
| Physical and Chemical Properties | those containing two molecules of crystal water were columnar crystals. Soluble in water, soluble in methanol, acetone, ethyl acetate, ethanol-soluble, ether, chloroform, benzene and petroleum ether. |
| Use | As an intermediate in the synthesis of pyrazinamide The product is an intermediate of anti-tuberculosis drug pyrazinamide. |
3-Pyrazinedicarboxylic acid - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns R11 - Highly Flammable |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. 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. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S16 - Keep away from sources of ignition. |
| WGK Germany | 3 |
| RTECS | UQ2500000 |
| TSCA | N |
| HS Code | 29339900 |
3-Pyrazinedicarboxylic acid - Nature
Open Data Verified Data
those with two-molecule crystal water were columnar crystals. The crystal water was lost at 100 °c and decomposed at 183-185 °c to release CO2. Soluble in water, soluble in methanol, acetone, ethyl acetate, ethanol-soluble, ether, chloroform, benzene and petroleum ether.
Last Update：2024-01-02 23:10:35
3-Pyrazinedicarboxylic acid - Preparation Method
Open Data Verified Data
with benzopyrazine as raw material, mixed with potassium permanganate and heated (68~70 deg C) 2h, standing overnight, suction supernatant. The lower layer was stirred with water, heated to 80 ℃, filtered, the filtrate and supernatant were concentrated by thin-film evaporator, neutralized to pH 2 with hydrochloric acid, and separated out pyrazinedicarboxylic acid monopotassium salt, cooled, and spin-dried, hydrochloric acid was added, stirred and heated to dissolve, cooled and crystallized below 15 ° C., washed with alcohol, and spin dried.
Last Update：2022-01-01 10:53:53
3-Pyrazinedicarboxylic acid - Introduction
Decomposes at 183-185 ℃ to release carbon dioxide, easily soluble in water, soluble in methanol, acetone, ethyl acetate, slightly soluble in alcohol, ether, chloroform, benzene and petroleum ether
Last Update：2022-10-16 17:29:36
3-Pyrazinedicarboxylic acid - Use
Open Data Verified Data
an intermediate for the synthesis of the antituberculosis drug pyrazinamide.
Last Update：2022-01-01 10:53:53
3-Pyrazinedicarboxylic acid - Reference Information
| purpose | This product is an intermediate of anti-tuberculosis drug pyrazinamide. used as an intermediate in the synthesis of pyrazinamide this product is an intermediate of the anti-tuberculosis drug pyrazinamide. |
| production method | benzopyrazine as raw material, potassium permanganate oxidation. First, water and benzopyrazine were put into the reaction pot, and potassium permanganate was uniformly added under stirring, and the temperature was maintained at 68-70 ° C. For 2H, and the end point was measured. After standing overnight, the supernatant was aspirated, the lower layer was stirred with water, heated to 80 ° C. And filtered. The supernatant and filtrate were concentrated with a thin film evaporator, and then taken out and neutralized with hydrochloric acid to pH = 2, precipitation of pyrazine dicarboxylic acid monopotassium salt, cooling, 25 deg C filter. The filter cake was added to hydrochloric acid, stirred to be fully soluble, cooled to below 15 °c, crystallized, filtered, washed with a little ethanol, and dried to obtain a crystalline product. The yield based on the benzopyrazine was 70%. |
Last Update：2024-04-09 15:16:53
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