5-(Trifluoromethyl)pyridin-3-amine

Base Information

• Chemical Name: 5-(Trifluoromethyl)pyridin-3-amine
• CAS No.: 112110-07-3
• Molecular Formula: C6H5F3N2
• Molecular Weight: 162.114
• Hs Code.: 2933399090
• European Community (EC) Number: 856-986-5
• DSSTox Substance ID: DTXSID80555104
• Wikidata: Q72512622
• Mol file: 112110-07-3.mol

Synonyms:5-(trifluoromethyl)pyridin-3-amine;112110-07-3;5-(Trifluoromethyl)-3-aminopyridine;5-(TRIFLUOROMETHYL)-3-PYRIDINAMINE;5-TRIFLUOROMETHYL-PYRIDIN-3-YLAMINE;3-AMINO-5-(TRIFLUOROMETHYL)PYRIDINE;3-Amino-5-trifluoromethyl-pyridine;MFCD00128900;3-Pyridinamine, 5-(trifluoromethyl)-;SCHEMBL568548;5-trifluoromethylpyridin-3-amine;3-amino-5-trifluoromethylpyridine;DTXSID80555104;5-Trifluoromethyl-3-Aminopyridine;4-METHYLCHLORODIPHENYLMETHANE;5-(Trifluormethyl)-3-aminopyridine;AMY12236;5-(trifluoromethyl)pyridin-3-ylamine;AKOS006273305;CS-W008860;PB13025;AC-25640;DS-12097;SY028351;EN300-78448;A894649;J-516445;5-(Trifluoromethyl)-3-pyridinamine;3-Amino-5-(trifluoromethyl)pyridine

Chemical Property of 5-(Trifluoromethyl)pyridin-3-amine

Chemical Property:

• Vapor Pressure: 0.0409mmHg at 25°C
• Melting Point: 40-41.5 °C
• Refractive Index: 1.478
• Boiling Point: 239.1 °C at 760 mmHg
• PKA: 3.74±0.20(Predicted)
• Flash Point: 98.4 °C
• PSA: 38.91000
• Density: 1.368 g/cm³
• LogP: 2.26380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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:

98%, ^*data from raw suppliers

5-(Trifluoromethyl)pyridin-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(Trifluoromethyl)pyridin-3-amine

There total 6 articles about 5-(Trifluoromethyl)pyridin-3-amine 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: 94.0%

3-chloro-5-(trifluoromethyl)pyridine (85148-26-1) → 5-(trifluoro-methyl)pyridin-3-amine (112110-07-3)

Guidance literature:

With dicyclohexyl(2',4',6'-triisopropyl-5-methoxy-3,4,6-trimethyl-[1,1'-biphenyl]-2-yl)phosphine; C₅₀H₇₀NO₄PPdS; C₅₀H₇₀NO₄PPdS; dicyclohexyl(2',4',6'-triisopropyl-4-methoxy-3,5,6-trimethyl-[1,1'-biphenyl]-2-yl)phosphine; ammonia; sodium t-butanolate; In 1,4-dioxane; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol401612c

Reference yield: 90.0%

1,1-diphenyl-N-[5-(trifluoromethyl)-3-pyridyl]methanimine (1529769-93-4) → 5-(trifluoro-methyl)pyridin-3-amine (112110-07-3)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 2h;

Reference yield: 74.0%

→ 5-(trifluoro-methyl)pyridin-3-amine (112110-07-3)

Guidance literature:

With ammonium hydroxide; potassium phosphate; copper(l) iodide; N¹,N²-bis(5-methyl-[1,1'-biphenyl]-2-yl)oxalamide; In dimethyl sulfoxide; at 110 ℃; for 24h; Inert atmosphere; Schlenk technique;

upstream raw materials:

3-chloro-5-(trifluoromethyl)pyridine

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

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

3-bromo-5-(trifluoromethyl)pyridine

Downstream raw materials:

phenyl [5-(trifluoro-methyl)pyridin-3-yl]carbamate

cis-3-(Boc-amino)-5-(trifluoromethyl)piperidine

Refernces

• 1、 -. "Oxalic amide ligands, and uses thereof in copper-catalyzed coupling reaction of aryl halides". Page/Page column 89-90. . Retrieved 2020/01/09.
• 2、 -. "CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS". . . Retrieved 2015/07/22.