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| | 2,6-Dichloro-4-methylnicotinonitrile Basic information |
| | 2,6-Dichloro-4-methylnicotinonitrile Chemical Properties |
| Melting point | 108-112 °C(lit.) | | Boiling point | 118 °C / 5mmHg | | density | 1.42±0.1 g/cm3(Predicted) | | storage temp. | Inert atmosphere,2-8°C | | solubility | 0.4g/l | | pka | -4.53±0.10(Predicted) | | form | solid | | PH | 3.5 (H2O, 20℃)(aqueous suspension) | | Appearance | White to light brown Solid | | InChI | InChI=1S/C7H4Cl2N2/c1-4-2-6(8)11-7(9)5(4)3-10/h2H,1H3 | | InChIKey | LSPMHHJCDSFAAY-UHFFFAOYSA-N | | SMILES | C1(Cl)=NC(Cl)=CC(C)=C1C#N | | CAS DataBase Reference | 875-35-4(CAS DataBase Reference) |
| Hazard Codes | T,Xi | | Risk Statements | 20/21-25-37/38-41-43-36/37/38 | | Safety Statements | 26-36/37/39-45-36 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29333990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| | 2,6-Dichloro-4-methylnicotinonitrile Usage And Synthesis |
| Chemical Properties | White to light brown powder | | Uses | 2,6-Dichloro-4-methylnicotinonitrile is a pharmaceutical intermediate compound of Nevirapine, a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of human immunodeficiency virus (HIV). | | Synthesis | General procedure for the synthesis of 3-cyano-4-methyl-2,6-dichloropyridine from 6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile: 6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (28.0 g, 195.2 mmol) was dissolved in phosphorus triclosan (60.0 mL). The reaction mixture was transferred to a pressure tube, sealed and heated to 180 °C for 6 hours. Upon completion of the reaction, it was cooled to room temperature and excess phosphorous trichloride was removed by distillation under reduced pressure. Crushed ice was slowly added to the residue and a solid was precipitated. The solid was collected by filtration and dried under vacuum to afford the target product 3-cyano-4-methyl-2,6-dichloropyridine in 92% yield without further purification. | | References | [1] Journal of Heterocyclic Chemistry, 1995, vol. 32, # 3, p. 979 - 984
[2] Patent: WO2014/165232, 2014, A1. Location in patent: Paragraph 0174; 0175
[3] Patent: US2015/119387, 2015, A1. Location in patent: Paragraph 0175; 0176
[4] Patent: JP2017/95498, 2017, A. Location in patent: Paragraph 0079; 0080
[5] Patent: CN104530042, 2017, B. Location in patent: Paragraph 0171; 0177; 0178; 0179 |
| | 2,6-Dichloro-4-methylnicotinonitrile Preparation Products And Raw materials |
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