2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE

Product Name: 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
CAS No.: 91591-63-8
Chemical Name: 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
Synonyms: 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE;3-Cyano-2,5-dichloro-4,6-dimethylpyridine;2,5-Dichloro-4,6-dimethylnicotinonitrile 95+%;2,5-DICHLORO-4,6-DIMETHYLPYRIDINE-3-CARBONITRILE;2,5-Dichloro-4,6-diMethyl-3-pyridinecarbonitrile;3-Pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-;2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile, 3-Cyano-2,5-dichloro-4,6-dimethylpyridine
CBNumber: CB5352041
Molecular Formula: C8H6Cl2N2
Formula Weight: 201.05
MOL File: 91591-63-8.mol

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2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Property

Melting point:: 82 °C
Boiling point:: 304.6±37.0 °C(Predicted)
Density: 1.36
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: -2.79±0.10(Predicted)
color: White
InChI: InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
InChIKey: UCGWYTUBYASPFG-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=C(Cl)C(C)=C1C#N

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Safety

Hazard Codes: Xi,Xn
Risk Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39
HazardClass: IRRITANT
HS Code: 2933399990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: D434275
Product name: 2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile
Packaging: 10g
Price: $415
Updated: 2021/12/16

Matrix Scientific

Product number: 012602
Product name: 2,5-Dichloro-4,6-dimethylnicotinonitrile
Purity: 98%
Packaging: 1g
Price: $27
Updated: 2021/12/16

ChemScene

Product number: CS-0010501
Product name: 2,5-Dichloro-4,6-dimethylnicotinonitrile
Purity: 99.96%
Packaging: 25g
Price: $33
Updated: 2021/12/16

SynQuest Laboratories

Product number: 3H37-5-Z4
Product name: 2,5-Dichloro-4,6-dimethylnicotinonitrile
Purity: 95.0%
Packaging: 5G
Price: $34
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FD04336
Product name: 2,5-Dichloro-4,6-dimethylnicotinonitrile
Packaging: 1g
Price: $70
Updated: 2021/12/16

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2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Chemical Properties,Usage,Production

Uses

2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile, can be used for the synthesis of a selective muscarinic receptor 4 (M4) positive allosteric modulator called ML253, which is a potent and brain penetrant compound that is active in a preclinical model of schizophrenia.

Synthesis

Phosphoryl chloride (973.2g), tetramethylammonium chloride (67.3g) and compound of Preparation 2 (227.1g) were added to dichloromethane (500g). The suspension was heated to 85°C and stirred for 5 hours. Excess of phosphoryl chloride was removed by distillation in vacuo. The reaction mixture was cooled below 30 °C and diluted with dichloromethane. The resulting solution was added to water (1350g) at room temperature and stirred for 30 minutes. The lower organic phase was separate and the aqueous phase extracted with dichloromethane. The organic phases were combined, washed with water and then treated with charcoal. The charcoal was filtered and a solvent swap to heptane was performed by distillation at atmospheric pressure. The solution was filtered at 50 °C and then cooled to 30 °C. On further cooling to 0°C crystals were obtained. These were isolated by filtration, washed twice with heptane. After drying at 50°C the desired product was obtained typically at 88-91 % . The above process was repeated with a reduction in dichloromethane during crystallisation and adding some methanol. The resulting plate-like crystals were more easily transferred for subsequent use.

References

[1] Patent: WO2013/89573, 2013, A1. Location in patent: Page/Page column 15-16
[2] MedChemComm, 2015, vol. 6, # 11, p. 1998 - 2003
[3] Chemistry of Heterocyclic Compounds, 2004, vol. 40, # 3, p. 308 - 314
[4] Patent: EP1845097, 2007, A1. Location in patent: Page/Page column 6-7

2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Suppliers

Belgium 1 China 157 Germany 1 India 8 Switzerland 1 United Kingdom 8 United States 12 Global 188

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View Lastest Price from 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 2,5-Dichloro-4,6-dimethylnicotinonitrile 91591-63-8
Price: US $8.80-2.20/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-06-27

Henan Aochuang Chemical Co.,Ltd.

Product: 2,5-Dichloro-4,6-dimethylnicotinonitrile 91591-63-8
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-13

Shaanxi Dideu New Materials Co. Ltd

Product: 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE 91591-63-8
Price: US $0.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 10000KGS
Release date: 2025-03-15

91591-63-8, 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILERelated Search:

2-Chloro-4-methylpyridine-3-carbonitrile 2-Chloro-6-methyl-3-pyridinecarbonitrile 4,6-DIMETHYLNICOTINONITRILE 3-CHLORO-5-METHYLPYRIDINE 3-CHLORO-2-METHYLPYRIDINE 3-CHLORO-4-METHYLPYRIDINE 3-Cyanopyridine 2-Chloro-3-cyano-4,6-dimethylpyridine 2-Chloro-3-cyanopyridine 3-Cyano-4-methylpyridine 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE 2,5-Dichloropyridine 2,5-DICHLORO-3-PICOLINE 2-Chloro-3-picoline 6-Chloro-2-picoline 2,5-DICHLORO-4-METHYLPYRIDINE 2-Chloro-4-picoline 5-CHLORO-3-CYANOPYRIDINE

2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE

2,5-DICHLORO-4,6-DIMETHYLPYRIDINE-3-CARBONITRILE

2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile, 3-Cyano-2,5-dichloro-4,6-dimethylpyridine

2,5-Dichloro-4,6-diMethyl-3-pyridinecarbonitrile

3-Cyano-2,5-dichloro-4,6-dimethylpyridine

2,5-Dichloro-4,6-dimethylnicotinonitrile 95+%

3-Pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-

91591-63-8