pharmaceutical intermediate 3-Hydroxypyridine CAS 109-00-2
Name: 3-Hydroxypyridine
CAS: 109-00-2
Molecular Formula: C5H5NO
Molecular Weight: 95.1
109-00-2 - Names and Identifiers
| Name | 3-Hydroxypyridine |
| Synonyms | 3-HP 3-Pyridinol Pyridin-3-ol PYRIDIN-3-OL 3-Oxopyridine Pyridine-3-ol 3(1h)-pyridone pyridin-3(2H)-one 3-Hydroxypyridine 3-HYDROXYPYRIDINE TIMTEC-BB SBB004391 sodium pyridin-3-olate 3-Hydroxypyridine(3-Pyridinol) 3-HYDROXY PYRIDINE PYRIDIN-3-OL |
| CAS | 109-00-2 |
| EINECS | 203-637-4 |
| InChI | InChI=1/C5H5NO/c7-5-2-1-3-6-4-5/h1-3H,4H2 |
109-00-2 - Physico-chemical Properties
| Molecular Formula | C5H5NO |
| Molar Mass | 95.1 |
| Density | 1.1418 (rough estimate) |
| Melting Point | 125-128 °C (lit.) |
| Boling Point | 280-281°C(lit.) |
| Flash Point | 173°C |
| Water Solubility | 32.26g/L(20 ºC) |
| Solubility | 33g/l |
| Vapor Presure | 0.19mmHg at 25°C |
| Appearance | White to light brown powder |
| Color | Beige to brown |
| BRN | 105699 |
| pKa | 4.79, 8.75(at 20℃) |
| PH | 6.0-6.5 (33g/l, H2O, 20℃) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.5939 (estimate) |
| MDL | MFCD00006378 |
| Physical and Chemical Properties | Appearance light yellow or light brown crystalline powder solubility soluble in alcohol and water, slightly soluble in ether and benzene Other properties when ferric chloride into red solution, easily decomposed in Air |
| Use | For organic synthesis, pharmaceutical industry and preparation of dyes |
109-00-2 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S22 - Do not breathe dust. |
| WGK Germany | 3 |
| RTECS | UV1144050 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29333999 |
| Hazard Note | Irritant |
109-00-2 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | as a pharmaceutical intermediate. Used in the preparation of organic synthesis, pharmaceutical industry and dyes Organic synthesis and pharmaceutical intermediates. Used in the preparation of organic synthesis, medicine and dyes |
| production method | is obtained by sulfonation, alkali melting and neutralization of pyridine. Add fuming sulfuric acid to a dry reaction pot, stir and add pyridine dropwise, and then add mercury sulfate. Heat to 230-240 ℃ and keep warm for 13-14h. Cold to 20-25 ℃, add ethanol, continue to cool to below 5 ℃, precipitate crystallization. Filtration to obtain pyridine-3-sulfonic acid. Melting point 345 ℃, yield 62%. Add sodium hydroxide and pyridine -3-sulfonic acid into the reaction pot, melt at 160 ℃, and heat to 220-230 ℃ for 4 hours. Cold to 100 ℃, add water to dissolve, adjust pH to 4 with 30% hydrochloric acid, concentrate under reduced pressure, and filter to remove sodium chloride. The filtrate was adjusted to pH 8-9 with saturated sodium carbonate, cooled and filtered, and dried to obtain crude 3-hydroxypyridine with 64% yield. The fine products obtained by recrystallization with toluene have a melting point of 126-128 ℃, a content of 98% and a refined yield of 80%. |
