2-Chloro-4-phenylnicotinonitrile

Base Information

• Chemical Name: 2-Chloro-4-phenylnicotinonitrile
• CAS No.: 163563-64-2
• Molecular Formula: C₁₂H₇ClN₂
• Molecular Weight: 214.654
• Hs Code.: 2933399090
• European Community (EC) Number: 692-314-5
• DSSTox Substance ID: DTXSID80377424
• Wikidata: Q72457253
• Mol file: 163563-64-2.mol

Synonyms:2-chloro-4-phenylnicotinonitrile;163563-64-2;2-chloro-4-phenylpyridine-3-carbonitrile;MFCD01935958;SCHEMBL16681058;DTXSID80377424;GYTQTBOCDGGMRW-UHFFFAOYSA-N;2-Chloro-3-Cyano-4-Phenylpyridine;CL0072;AKOS005071430;8M-510S;AC-3582;CS-W002867;SY007418;2-chloro-4-phenylnicotinonitrile, AldrichCPR;3-Pyridinecarbonitrile, 2-chloro-4-phenyl-;A3633;AM20070217;FT-0648880

Chemical Property of 2-Chloro-4-phenylnicotinonitrile

Chemical Property:

• Vapor Pressure: 3.3E-06mmHg at 25°C
• Melting Point: 125-127.5°
• Refractive Index: 1.632
• Boiling Point: 387.4 °C at 760 mmHg
• PKA: -1.92±0.10(Predicted)
• Flash Point: 188.1 °C
• PSA: 36.68000
• Density: 1.30 g/cm³
• LogP: 3.27368
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.0297759
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

99.5% ^*data from raw suppliers

2-Chloro-4-phenylnicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=NC=C2)Cl)C#N

Technology Process of 2-Chloro-4-phenylnicotinonitrile

There total 2 articles about 2-Chloro-4-phenylnicotinonitrile 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: 98.0%

2-(3-dimethylamino-1-phenyl-2-propenylidene)-1,3-propanedinitrile (124571-67-1) → 2-Chloro-4-phenyl-3-pyridinecarbonitrile (163563-64-2)

Guidance literature:

With hydrogenchloride; acetic acid; Ambient temperature;

DOI:10.1021/jo00117a029

Reference yield: 91.0%

2-(1-phenylpropylidene)malononitrile (10432-39-0) → 2-Chloro-4-phenyl-3-pyridinecarbonitrile (163563-64-2)

Guidance literature:

With potassium fluoride; natural phosphate; trichlorophosphate; In N,N-dimethyl-formamide; at 70 - 80 ℃; for 3h;

Reference yield: 84.0%

2-Chloro-4-phenyl-3-pyridinecarbonitrile (163563-64-2) → 4-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine (174713-63-4)

Guidance literature:

With hydrazine hydrate; In ethanol; at 70 ℃; for 17h; Inert atmosphere;

upstream raw materials:

2-(3-dimethylamino-1-phenyl-2-propenylidene)-1,3-propanedinitrile

2-(1-phenylpropylidene)malononitrile

Downstream raw materials:

4-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine

Refernces

• 1、 Church,Trust,Albright,Powell. "New synthetic routes to 3-, 5-, and 6-aryl-2-chloropyridines". . p. 3750 - 3758. Retrieved 2007/10/02.