(3-(Trifluoromethyl)pyridin-2-yl)methanamine

Base Information

• Chemical Name: (3-(Trifluoromethyl)pyridin-2-yl)methanamine
• CAS No.: 886371-24-0
• Molecular Formula: C7H7F3N2
• Molecular Weight: 176.141
• Hs Code.: 2933399990
• European Community (EC) Number: 865-959-7
• DSSTox Substance ID: DTXSID501270752
• Mol file: 886371-24-0.mol

Synonyms:886371-24-0;(3-(Trifluoromethyl)pyridin-2-yl)methanamine;C-(3-Trifluoromethyl-pyridin-2-yl)-methylamine;[3-(trifluoromethyl)pyridin-2-yl]methanamine;2-(Aminomethyl)-3-(trifluoromethyl)pyridine;2-Aminomethyl-3-Trifluoromethylpyridine, HCl;[3-(Trifluoromethyl)pyridin-2-yl]methylamine;3-(TRIFLUOROMETHYL)-2-PYRIDINEMETHANAMINE;SCHEMBL2301406;WJKDJSRGLDAXHI-UHFFFAOYSA-N;DTXSID501270752;MFCD07375385;AKOS015852916;AB41842;AC-29126;CS-0069584;FT-0651538;C91952;EN300-1930248;J-501091;1-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]METHANAMINE

Chemical Property of (3-(Trifluoromethyl)pyridin-2-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.634mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 187.3 °C at 760 mmHg
• PKA: 8.25±0.39(Predicted)
• Flash Point: 67.1 °C
• PSA: 38.91000
• Density: 1.293 g/cm³
• LogP: 2.25940
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 176.05613272
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Trifluoromethyl)-2-pyridinemethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)CN)C(F)(F)F
• Uses: 3-(Trifluoromethyl)-2-pyridinemethanamine is used in the discovery of 4-Amino-8-quinoline carboxamides as novel, submicromolar inhibitors of NAD-hydrolyzing enzyme CD38.

Technology Process of (3-(Trifluoromethyl)pyridin-2-yl)methanamine

There total 1 articles about (3-(Trifluoromethyl)pyridin-2-yl)methanamine 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:

2-cyano-3-(trifluoromethyl)pyridine (406933-21-9) → 1-[3-(trifluoromethyl)pyridin-2-yl]methanamine (886371-24-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; acetic acid;

DOI:10.1016/j.bmcl.2012.04.122

Reference yield: 61.0%

1-[3-(trifluoromethyl)pyridin-2-yl]methanamine (886371-24-0) + 4-chloro-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-1,2,2’,3’,5’,6’-hexahydrospiro[indole-3,4’-thiopyran]-5-carboxylic acid 1‘,1‘-dioxide → 4-chloro-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-N-{[3-(trifluoromethyl)pyridin-2-yl]methyl}-1,2,2’,3’,5’,6’-hexahydrospiro[indole-3,4’-thiopyran]-5-carboxamide 1’,1‘-dioxide

Guidance literature:

With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 26.0%

1-[3-(trifluoromethyl)pyridin-2-yl]methanamine (886371-24-0) + 2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-5-[(3H-[1 ,2,3]triazolo[4,5-b]pyridin-3-yloxy)carbonyl]-1,2,2',3',5',6'-hexahydrospiro[indole-3,4'-thiopyran] → 2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-N-{[3-(trifluoromethyl)pyridin-2-yl]methyl}-1,2,2',3',5',6'-hexahydrospiro[indole-3,4'-thiopyran]-5-carboxamide

Guidance literature:

In tetrahydrofuran; at 55 ℃; for 240h;

upstream raw materials:

2-cyano-3-(trifluoromethyl)pyridine

Downstream raw materials:

C₁₂H₁₅F₃N₂O₂

Refernces