5,6-Dichloronicotinonitrile

Base Information

• Chemical Name: 5,6-Dichloronicotinonitrile
• CAS No.: 65189-15-3
• Molecular Formula: C6H2 Cl2 N2
• Molecular Weight: 173.001
• Hs Code.: 2933399090
• European Community (EC) Number: 800-815-9
• DSSTox Substance ID: DTXSID60512174
• Wikidata: Q82371303
• Mol file: 65189-15-3.mol

Synonyms:5,6-dichloronicotinonitrile;65189-15-3;5,6-dichloropyridine-3-carbonitrile;C6H2Cl2N2;MFCD11100247;5,6-dichloro-3-pyridinecarbonitrile;3-Pyridinecarbonitrile, 5,6-dichloro-;5,6-dichloro-nicotinonitrile;SCHEMBL231937;2,3-Dichloro 5-cyano pyridine;AMY6272;DTXSID60512174;JBMLYEZUHCZNKT-UHFFFAOYSA-N;AKOS005072531;CS-W004211;GC-0755;SY110042;FT-0681073;EN300-65841;J-516516;F8880-2217;Z1029445928

Chemical Property of 5,6-Dichloronicotinonitrile

Chemical Property:

• Melting Point: 146-148°
• PSA: 36.68000
• LogP: 2.26008
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 171.9595035
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

5,6-dichloropyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1Cl)Cl)C#N

Technology Process of 5,6-Dichloronicotinonitrile

There total 7 articles about 5,6-Dichloronicotinonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

5,6-dichloro-nicotinamide (75291-84-8) → 5,6-dichloro-3-pyridinecarbonitrile (65189-15-3)

Guidance literature:

With thionyl chloride; In neat (no solvent); for 72h; Reflux;

Reference yield: 63.0%

2-amino-3-chloro-5-cyanopyridine (156361-02-3) → 5,6-dichloro-3-pyridinecarbonitrile (65189-15-3)

Guidance literature:

With tert.-butylnitrite; copper dichloride; In acetonitrile; at 65 ℃; for 4h;

Reference yield:

oxalyl dichloride (79-37-8) + 5,6-dichloronicotinic acid (41667-95-2) → 5,6-dichloro-3-pyridinecarbonitrile (65189-15-3)

Guidance literature:

With thionyl chloride; ammonia; In tetrahydrofuran; N-methyl-acetamide; methanol; dichloromethane;

upstream raw materials:

2-amino-3-chloro-5-cyanopyridine

C₆H₆Cl₂N₂

oxalyl dichloride

5,6-dichloronicotinic acid

Downstream raw materials:

5-chloro-6-(4-chlorophenylamino)nicotinonitrile

methyl (2S,4R)-1-(3-chloro-5-(5-(2-(methoxymethyl)-2'-methylbiphenyl-4-yl)-1,2,4-oxadiazol-3-yl)pyridin-2-yl)-4-(tert-butyldimethylsilyloxy)-pyrrolidine-2-carboxylate

methyl (2S,4R)-1-(3-chloro-5-(5-(2-(methoxymethyl)-2'-methylbiphenyl-4-yl)-1,2,4-oxadiazol-3-yl)pyridin-2-yl)-4-hydroxypyrrolidine-2-carboxylate

tert-butyl 1-(4-(3-chloro-5-cyanopyridin-2-yl)phenyl)cyclobutylcarbamate