3-Amino-4-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 3-Amino-4-(trifluoromethyl)pyridine
• CAS No.: 175204-80-5
• Molecular Formula: C6H5F3N2
• Molecular Weight: 162.114
• Hs Code.: 2933399090
• European Community (EC) Number: 670-887-2
• DSSTox Substance ID: DTXSID60371046
• Wikidata: Q72512631
• Mol file: 175204-80-5.mol

Synonyms:3-Amino-4-(trifluoromethyl)pyridine;175204-80-5;4-(trifluoromethyl)pyridin-3-amine;3-Pyridinamine, 4-(trifluoromethyl)-;3-amino-4-trifluoromethylpyridine;MFCD00173960;4-trifluoromethyl-pyridin-3-ylamine;3-amino-4-(trifluoromethyl)-pyridine;SCHEMBL971004;DTXSID60371046;GJOMVBPTYCNYOS-UHFFFAOYSA-N;4-Trifluoromethyl-3-pyridinylamine;BCP26953;CCG-51268;AKOS005063697;AB04387;AM84615;FS-1069;AC-22649;SY022758;A3880;CS-0005664;FT-0614957;EN300-112837;4-(Trifluoromethyl)-3-pyridinamine, AldrichCPR;J-513935;SR-01000640575-1;Z1201619543

Chemical Property of 3-Amino-4-(trifluoromethyl)pyridine

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.038mmHg at 25°C
• Melting Point: 49-52 °C
• Refractive Index: 1.446
• Boiling Point: 252.8 °C at 760 mmHg
• PKA: 3.81±0.18(Predicted)
• Flash Point: 106.7 °C
• PSA: 38.91000
• Density: 1.368 g/cm³
• LogP: 2.26380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: soluble in Methanol
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi, C
• Hazard Codes: Xi,Xn,C,T
• Statements: 20/21/22-36/37/38-34-22-43-36-25
• Safety Statements: 22-36/37/39-36/37-45-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1C(F)(F)F)N

Technology Process of 3-Amino-4-(trifluoromethyl)pyridine

There total 2 articles about 3-Amino-4-(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: 89.0%

4-trifluoromethyl-3-pyridinecarboxamide (158062-71-6) → 4-(trifluoromethyl)pyridin-3-amine (175204-80-5)

Guidance literature:

With sodium hypobromide; sodium hydroxide; In water; at -10 - 80 ℃;

Reference yield:

4-(trifluoromethyl)nicotinic acid (158063-66-2) → 4-(trifluoromethyl)pyridin-3-amine (175204-80-5)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 40 - 55 °C

2: sodium hypobromide; sodium hydroxide / water / -10 - 80 °C

With thionyl chloride; sodium hypobromide; N,N-dimethyl-formamide; sodium hydroxide; In dichloromethane; water;

Reference yield: 95.4%

4-(trifluoromethyl)pyridin-3-amine (175204-80-5) → 3-hydroxy-4-trifluoromethylpyridine (936841-71-3)

Guidance literature:

4-(trifluoromethyl)pyridin-3-amine; With sulfuric acid; sodium nitrite; In water; at -5 - 20 ℃; for 0.5h;

With water; at 100 - 110 ℃; for 2h;

With sodium hydrogencarbonate; In water; pH=6 - 7;

upstream raw materials:

4-(trifluoromethyl)nicotinic acid

4-trifluoromethyl-3-pyridinecarboxamide

Downstream raw materials:

3-hydroxy-4-trifluoromethylpyridine

3-hydrazino-4-(trifluoromethyl)pyridine

3-Aminopyridine-4-carboxylic acid

Refernces