| Identification | More | [Name]
2,6-Dichloro-4-methylnicotinonitrile | [CAS]
875-35-4 | [Synonyms]
2,6-DICHLORO-3-CYANO-4-METHYLPYRIDINE
2,6-DICHLORO-4-METHYL-3-CYANOPYRIDINE
2,6-DICHLORO-4-METHYLNICOTINONITRILE
2,6-DICHLORO-4-METHYLPYRIDINE-3-CARBONITRILE
3-CYANO-2,6-DICHLORO-4-METHYLPYRIDINE
3-Cyano-4-methyl-2,6-dichloropyridine
3-PYRIDINECARBONITRILE, 2,6-DICHLORO-4-METHYL-
BUTTPARK 43\57-14
IFLAB-BB F0907-8363
3-Cyano-2,6-Dichloro-4-Methylpyridine 2,6-Dichloro-3-Cyano-4-Methylpyridine
3-Cyano-2,6-dichloro-4-methyl
2,6-DICHLORO-4-METHYL-3-PYRIDINECARBONITRILE
3-Cyano-2,6-dichloro-GAMMA-picoline
2,6-DICHLORO-4-METHYLNICOTINONITRILE (3-CYANO-2,6-DICHLORO-4-METHYLPYRIDINE)
3-Cyano-2,6-Chloro-4-methylpyridine
2,6-Dichloro-4-methylnicotinonitrile ,99%
2,6-Dichloro-4-methylnicotinonitrile (3-Cyano-2,6-dichloro-4-met | [EINECS(EC#)]
212-873-7 | [Molecular Formula]
C7H4Cl2N2 | [MDL Number]
MFCD00052633 | [Molecular Weight]
187.03 | [MOL File]
875-35-4.mol |
| Chemical Properties | Back Directory | [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 | [form ]
solid | [pka]
-4.53±0.10(Predicted) | [Appearance]
White to light brown Solid | [PH]
3.5 (H2O, 20℃)(aqueous suspension) | [Detection Methods]
HPLC,NMR | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi | [Risk Statements ]
R20/21:Harmful by inhalation and in contact with skin .
R25:Toxic if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [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 |
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