- 3-Methylpicolinonitrile
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- $1.10
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2025-06-25
- CAS:20970-75-6
- Min. Order: 1g
- Purity: 99.0% min
- Supply Ability: 100 tons min
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| | 3-Methylpicolinonitrile Basic information |
| | 3-Methylpicolinonitrile Chemical Properties |
| Melting point | 83-87 °C(lit.) | | Boiling point | 141°C 38mm | | density | 1.1151 (rough estimate) | | refractive index | 1.5500 (estimate) | | Fp | 115°C | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Crystalline Powder | | pka | -0.03±0.10(Predicted) | | color | Light beige | | BRN | 112001 | | InChI | 1S/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H3 | | InChIKey | WBXZCDIZXWDPBL-UHFFFAOYSA-N | | SMILES | Cc1cccnc1C#N | | CAS DataBase Reference | 20970-75-6(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-36/37 | | RIDADR | 3439 | | WGK Germany | 3 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29333999 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Methylpicolinonitrile Usage And Synthesis |
| Chemical Properties | light beige crystalline powder | | Uses | 3-Methylpicolinonitrile is a useful chemical reagent. It has been used in the synthesis of, triazolo[1,5-c]pyrimidines as potential antiasthma agents; s-tetrazine derivatives as anti-tumor agents. | | Synthesis | II-1-1: Synthesis of 2-cyano-3-methylpyridine
10.9 g (0.1 mol) of 3-methylpyridine-N-oxide was mixed with 12.6 g (0.1 mol) of dimethyl sulfate and the reaction was stirred at 70-75°C for 2 hours. Subsequently, a solution prepared from 13.0 g (0.2 mol) potassium cyanide dissolved in 10-40 mL of water was slowly added dropwise to the reaction system while maintaining stirring. After the dropwise addition was completed, the reaction mixture was continued to be stirred at the same temperature for 1 hour and then at room temperature for another 1 hour. Upon completion of the reaction, it was diluted with 150 mL of water and extracted with dichloromethane. The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure. The resulting crude product was purified by silica gel column chromatography (eluent ratio: ethyl acetate/hexane = 2:8 to 3:7, 2:8 for the second time), and finally recrystallized from hexane to give 2.20 g of colorless solid product in 18.6% yield. The melting point of the product was 82.5-83.5 °C. IR (KBr, cm-1): 2210, 1560. | | References | [1] Patent: US5219847, 1993, A
[2] Chemical and Pharmaceutical Bulletin, 1959, vol. 7, p. 925,928 |
| | 3-Methylpicolinonitrile Preparation Products And Raw materials |
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