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

Base Information

• Chemical Name: (5-(Trifluoromethyl)pyridin-2-yl)methanamine
• CAS No.: 164341-39-3
• Molecular Formula: C7H7 F3 N2
• Molecular Weight: 176.141
• Hs Code.: 2933399090
• European Community (EC) Number: 853-211-2
• DSSTox Substance ID: DTXSID00396536
• Wikidata: Q72512713
• Mol file: 164341-39-3.mol

Synonyms:164341-39-3;(5-(trifluoromethyl)pyridin-2-yl)methanamine;[5-(trifluoromethyl)pyridin-2-yl]methanamine;5-(TRIFLUOROMETHYL)-2-PYRIDINEMETHANAMINE;2-Aminomethyl-5-(trifluoromethyl)pyridine;2-Pyridinemethanamine, 5-(trifluoromethyl)-;2-(Aminomethyl)-5-(trifluoromethyl)pyridine;MFCD04117761;C-(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-METHYLAMINE;(5-Trifluoromethylpyridin-2-yl)methylamine;(5-(trifluoromethyl)pyridin-2-yl)methylamine;[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]METHYLAMINE;SCHEMBL2550872;DTXSID00396536;HVQOLQUEKRHKKJ-UHFFFAOYSA-O;AKOS015891942;AB20724;FS-5053;AC-29117;SY032975;[5-(trifluoromethyl)-2-pyridyl]methanamine;2-Pyridinemethanamine,5-(trifluoromethyl)-;A3649;CS-0054008;FT-0726714;(5-(trifluoromethyl)-pyridin-2-yl)methanamine;C-(5-Trifluoromethyl-pyridin-2-yl)methylamine;P10296;{[5-(trifluoromethyl)pyridin-2-yl]methyl}amine;EN300-1928699;J-516444;1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]METHANAMINE;C-(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)METHYLAMINE HYDROCHLORIDE

Chemical Property of (5-(Trifluoromethyl)pyridin-2-yl)methanamine

Chemical Property:

• Boiling Point: 200.3±35.0 °C(Predicted)
• PKA: 8.27±0.39(Predicted)
• PSA: 38.91000
• Density: 1.293±0.06 g/cm3(Predicted)
• LogP: 2.25940
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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

(5-Trifluoromethylpyridin-2-yl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(F)(F)F)CN
• Uses: (5-Trifluoromethylpyridin-2-yl)methylamine is a reagent used in the preparation of azaquinazolinecarboxaminde derivatives as p70S6K inhibitors.

Technology Process of (5-(Trifluoromethyl)pyridin-2-yl)methanamine

There total 7 articles about (5-(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: 97.0%

3-chloro-2-cyano-5-(trifluoromethyl)pyridine (80194-70-3) → (3-chloro-5-trifluoromethyl-pyridin-2-yl)methylamine (175277-74-4) + (5-(trifluoromethyl)pyridin-2-yl)methanamine (164341-39-3)

Guidance literature:

With hydrogen; acetic acid; nickel; at 40 - 45 ℃; for 4h; under 13501.4 Torr;

Reference yield: 38.0%

3-chloro-2-cyano-5-(trifluoromethyl)pyridine (80194-70-3) → (5-(trifluoromethyl)pyridin-2-yl)methanamine (164341-39-3)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; water; at 60 ℃; for 25h; under 15001.5 - 18751.9 Torr; Autoclave;

Reference yield:

[3-chloro-5-(trifluoromethyl)-pyridin-2-yl]methanamine hydrochloride (326476-49-7) → (5-(trifluoromethyl)pyridin-2-yl)methanamine (164341-39-3)

Guidance literature:

With hydrogen; sodium hydrogencarbonate; palladium 10% on activated carbon; In methanol; for 3h;

upstream raw materials:

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

2-cyano-5-trifluoro-methylpyridine

[3-chloro-5-(trifluoromethyl)-pyridin-2-yl]methanamine hydrochloride

2-bromo-5-(trifluoromethyl)pyridine

Refernces

• 1、 -. "Preparation method of 2-aminomethyl-5-trifluoromethylpyridinium salt". Paragraph 0045-0046. . Retrieved 2020/06/17.
• 2、 -. "Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor". Page/Page column 68. . Retrieved 2010/02/11.