5-AMINO-3-(TRIFLUOROMETHYL)PICOLINONITRILE

Base Information

• Chemical Name: 5-AMINO-3-(TRIFLUOROMETHYL)PICOLINONITRILE
• CAS No.: 573762-62-6
• Molecular Formula: C7H4 F3N3
• Molecular Weight: 187.124
• Hs Code.: 2933399090
• European Community (EC) Number: 815-137-9
• DSSTox Substance ID: DTXSID90543138
• Wikidata: Q82419972
• Mol file: 573762-62-6.mol

Synonyms:5-Amino-3-(trifluoromethyl)pyridine-2-carbonitrile; 5-Amino-2-cyano-3-(trifluoromethyl)pyridine; 5-Amino-3-(trifluoromethyl)2-cyanopyridine

Chemical Property of 5-AMINO-3-(TRIFLUOROMETHYL)PICOLINONITRILE

Chemical Property:

• Boiling Point: 362.2±42.0 °C(Predicted)
• PKA: -1.52±0.10(Predicted)
• PSA: 62.70000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 2.13548
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 187.03573163
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-3-(trifluoromethyl)picolinonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(F)(F)F)C#N)N
• Uses: 5-AMINO-3-(TRIFLUOROMETHYL)PICOLINONITRILE is a pyridine heterocyclic organic compound, which can be used as pharmaceutical intermediates.

Technology Process of 5-AMINO-3-(TRIFLUOROMETHYL)PICOLINONITRILE

There total 18 articles about 5-AMINO-3-(TRIFLUOROMETHYL)PICOLINONITRILE 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: 95.0%

2-cyano-3-(trifluoromethyl)-5-nitropyridine (573762-57-9) → 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile (573762-62-6)

Guidance literature:

With hydrogenchloride; iron; In water; ethyl acetate; Reflux;

DOI:10.1016/j.ejmech.2020.112196

Reference yield: 95.0%

5-{[(4-methoxyphenyl)methyl]amino}-3-(trifluoromethyl)pyridine-2-carbonitrile (956104-45-3) → 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile (573762-62-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

Reference yield:

5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile → 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile (573762-62-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 3h;

upstream raw materials:

2-cyano-3-(trifluoromethyl)-5-nitropyridine

5-{[(4-methoxyphenyl)methyl]amino}-3-(trifluoromethyl)pyridine-2-carbonitrile

2-hydroxy-3-trifluoromethyl-5-(iodo)pyridine

2-chloro-5-iodo-3-(trifluoromethyl)pyridine

Downstream raw materials:

ARN-509

5-(5-(4-amino-3-hydroxyphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-7-yl)-3-(trifluoromethyl)picolinonitrile

5-(5-(4-bromo-3-fluorophenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-7-yl)-3-(trifluoromethyl)picolinonitrile

5-(5-(3-fluoro-4-hydroxyphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-7-yl)-3-(trifluoromethyl)picolinonitrile