4-Amino-2-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 4-Amino-2-(trifluoromethyl)pyridine
• CAS No.: 147149-98-2
• Molecular Formula: C6H5F3N2
• Molecular Weight: 162.114
• Hs Code.: 29333990
• European Community (EC) Number: 802-901-1
• DSSTox Substance ID: DTXSID10437429
• Nikkaji Number: J1.485.158E
• Wikidata: Q72442857
• Mol file: 147149-98-2.mol

Synonyms:147149-98-2;4-Amino-2-(trifluoromethyl)pyridine;2-(trifluoromethyl)pyridin-4-amine;4-AMINO-2-TRIFLUOROMETHYLPYRIDINE;2-TRIFLUOROMETHYL-4-AMINO-PYRIDINE;2-Trifluoromethyl-pyridin-4-ylamine;4-PYRIDINAMINE, 2-(TRIFLUOROMETHYL)-;MFCD09056877;2-(trifluoromethyl)-4-pyridinamine;4-Amino-2-(trifluoromethyl)-pyridine;SCHEMBL111794;4-amino-2-trifluormethylpyridine;DTXSID10437429;2-Trifluoromethyl-4-aminopyridine;WUHNTSDGYSSGKD-UHFFFAOYSA-N;BCP06615;2-(Trifluoromethyl)pyridine-4-amine;BBL101775;STL555572;AKOS005145778;AB49691;AC-7384;CS-W003591;FS-2586;AM803229;SY005986;4-Amino-2-(trifluoromethyl)pyridine, 97%;A3215;FT-0649569;EN300-135606;A808618;J-514310

Chemical Property of 4-Amino-2-(trifluoromethyl)pyridine

Chemical Property:

• Vapor Pressure: 0.065mmHg at 25°C
• Melting Point: 58-62°C
• Refractive Index: 1.479
• Boiling Point: 230.695 °C at 760 mmHg
• PKA: 4.62±0.50(Predicted)
• Flash Point: 93.321 °C
• PSA: 38.91000
• Density: 1.369 g/cm³
• LogP: 2.26380
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 162.04048265
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

4-Amino-2-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 25-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1N)C(F)(F)F

Technology Process of 4-Amino-2-(trifluoromethyl)pyridine

There total 11 articles about 4-Amino-2-(trifluoromethyl)pyridine 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: 100.0%

(28)-4-Nitro-6-trifluoromethylpyridine-N-oxide (147149-97-1) → 2-(trifluoromethyl)pyridin-4-amine (147149-98-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; water; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2010.08.042

Reference yield: 100.0%

4-nitro-2-(trifluoromethyl)pyridine (951627-69-3) → 2-(trifluoromethyl)pyridin-4-amine (147149-98-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; water; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2010.08.042

Reference yield: 89.0%

2-(trifluoro-methyl)pyridine 1-oxide (22253-71-0) → 2-(trifluoromethyl)pyridin-4-amine (147149-98-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 0.75h; under 1810.02 Torr;

DOI:10.1021/jm00058a010

upstream raw materials:

2-(trifluoro-methyl)pyridine 1-oxide

(Z)-1,1,1-Trifluoro-6-methoxy-hex-5-en-3-yn-2-one

⁽²⁸⁾-4-Nitro-6-trifluoromethylpyridine-N-oxide

2-(trifluoromethyl)pyridine

Downstream raw materials:

tert-butyl (4-cyano-2-(methylsulfonyl)phenyl)(5-oxo-2-(2-(trifluoromethyl)pyridin-4-ylamino)cyclopent-1-enyl)methylcarbamate

tert-butyl (4-cyanophenyl)(5-oxo-2-(2-(trifluoromethyl)pyridin-4-ylamino)cyclopent-1-enyl)methylcarbamate

Refernces

• 1、 Proietti, Giampiero,Prathap, Kaniraj Jeya,Ye, Xinchen,Olsson, Richard T.,Dinér, Peter. "Nickel Boride Catalyzed Reductions of Nitro Compounds and Azides: Nanocellulose-Supported Catalysts in Tandem Reactions". . p. 133 - 146. Retrieved 2021/11/04.
• 2、 -. "CXCR3 RECEPTOR ANTAGONISTS". . . Retrieved 2010/11/17.