(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol
2-Cyanopyrazine
CAS: 19847-12-2
Molecular Formula: C5H3N3
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol - Names and Identifiers
| Name | 2-Cyanopyrazine |
| Synonyms | NSC 166137 Cyanopyrazine 2-Cyanopyrazine Carboxypeptidase Z Pyrazinecarbonitrile 2-PYRAZINECARBONITRILE PYRAZINE-2-CARBONITRILE Pyrazinamide EP Impurity B Pyrazinecarbonitrile (7CI,8CI,9CI) 2-PYRAZINECARBONITRIL FOR SYNTHESIS ANTI-CPZ(N-TERMINAL) antibody produced in rabbit (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol |
| CAS | 19847-12-2 |
| EINECS | 243-369-5 |
| InChI | InChI=1/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H |
| InChIKey | PMSVVUSIPKHUMT-UHFFFAOYSA-N |
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol - Physico-chemical Properties
| Molecular Formula | C5H3N3 |
| Molar Mass | 105.1 |
| Density | 1.174 g/mL at 25 °C (lit.) |
| Melting Point | 18-20°C |
| Boling Point | 87 °C/6 mmHg (lit.) |
| Flash Point | 206°F |
| Water Solubility | Slightly soluble in water. |
| Solubility | Acetonitrile (Slightly), Chloroform (Slightly) |
| Vapor Presure | 0.0834mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| BRN | 110008 |
| pKa | -1.97±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.534(lit.) |
| Physical and Chemical Properties | density 1.174 boiling point 87°C (6 mmHg) refractive index 1.534 flash point 206 °F |
| Use | Mainly used as pharmaceutical raw materials, chemical intermediates |
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29339990 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol - 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) |
| uses | 2-cyanopyrazine is an important organic chemical raw materials and pharmaceutical intermediates, there are a wide range of uses in the field of medicine. Cyano pyrazine is the basic raw material for the synthesis of pyrazinamide tuberculosis special medicine. |
| synthesis method | in a 1 liter three-necked flask, 500 ml of toluene was successively added under the protection of nitrogen, 48G (0.3 mol) of 2-bromopyrazine, 11.8g (0.36 Mol, 1.2 eq) of sodium cyanide, 5.73G (30 mmol, 0.1 eq) of cuprous iodide, 10G potassium iodide (60 mmol, 0.2 equiv),26.4g N,N'-dimethylethylenediamine (0.3 Mol, 1.0 equiv), stirred under nitrogen at 110 °c for 30 hours, the reaction was terminated, followed by filtration, and the filtrate was fractionated under reduced pressure to obtain a clear liquid 2-cyanopyrazine, yield 70%, purity 99%(GC), and boiling point 84-87 °c (18-20mmHg). |
Last Update：2024-04-09 02:00:05
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View History
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol
3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]phenyl] methylamino]-Propanenitrile
N-(Acetyl-d3)-3-(2-carboxypropyl)thio]alanine Ethyl Ester
Amisulpride-d5
Benzoic acid, 4-[(aminothioxomethyl)amino]-, 2-(diethylamino)ethyl ester
Dextropropoxyphene Hydrochloride EP Impurity F as Hydrochloride
Bis[methylbis[[2-(9-tricosenylcarbonyloxy)ethyl]thio]stannyl] sulfide
3,5-di-tert-butylpyrazole
2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE DIHYDROCHLORIDE
2-[(3-chloro-4,5-diethoxybenzyl)amino]-1-phenyl-1-propanol
3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]phenyl] methylamino]-Propanenitrile
N-(Acetyl-d3)-3-(2-carboxypropyl)thio]alanine Ethyl Ester
Amisulpride-d5
Benzoic acid, 4-[(aminothioxomethyl)amino]-, 2-(diethylamino)ethyl ester
Dextropropoxyphene Hydrochloride EP Impurity F as Hydrochloride
Bis[methylbis[[2-(9-tricosenylcarbonyloxy)ethyl]thio]stannyl] sulfide
3,5-di-tert-butylpyrazole
2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE DIHYDROCHLORIDE
2-[(3-chloro-4,5-diethoxybenzyl)amino]-1-phenyl-1-propanol