4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline

Base Information

• Chemical Name: 4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline
• CAS No.: 71422-81-6
• Molecular Formula: C₁₂H₉F₃N₂O
• Molecular Weight: 254.211
• Hs Code.: 2933399090
• European Community (EC) Number: 671-683-6
• DSSTox Substance ID: DTXSID60382435
• Wikidata: Q82173793
• Mol file: 71422-81-6.mol

Synonyms:71422-81-6;4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline;4-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}aniline;4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)aniline;4-[5-(trifluoromethyl)pyridin-2-yl]oxyaniline;4-([5-(trifluoromethyl)-2-pyridinyl]oxy)aniline;4-([5-(trifluoromethyl)pyridin-2-yl]oxy)aniline;4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline;Benzenamine, 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-;SCHEMBL4728325;DTXSID60382435;MFCD03001213;AKOS000130783;4-(5-trifluoromethylpyrid-2-yloxy)aniline;CS-0156771;FT-0680713;4-(5-trifluoromethylpyridin-2-yl-oxy)aniline;9F-067;D82243;4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]-aniline;J-513173;4-([5-(trifluoromethyl)pyridin-2-yl]oxy)aniline, AldrichCPR

Chemical Property of 4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline

Chemical Property:

• Vapor Pressure: 5.24E-05mmHg at 25°C
• Melting Point: 44-47
• Boiling Point: 347.8°C at 760 mmHg
• Flash Point: 164.2°C
• PSA: 48.14000
• Density: 1.344g/cm³
• LogP: 4.05610
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 254.06669740
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

99%, ^*data from raw suppliers

4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)OC2=NC=C(C=C2)C(F)(F)F

Technology Process of 4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline

There total 3 articles about 4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline 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: 82.7%

→ 4-((5-(trifluoromethyl)pyridin-2-yl)oxy)aniline (71422-81-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 20h; Inert atmosphere;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 4-((5-(trifluoromethyl)pyridin-2-yl)oxy)aniline (71422-81-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium t-butanolate / N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

1.2: 20 °C

2.1: ammonium chloride; iron / ethanol; water / 1 h / Reflux

With iron; ammonium chloride; sodium t-butanolate; In ethanol; water; N,N-dimethyl-formamide;

Reference yield:

2-chloro-5-trifluoromethylpyridine (52334-81-3) → 4-((5-(trifluoromethyl)pyridin-2-yl)oxy)aniline (71422-81-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium t-butanolate / N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

1.2: 20 °C

2.1: ammonium chloride; iron / ethanol; water / 1 h / Reflux

With iron; ammonium chloride; sodium t-butanolate; In ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

4-nitro-phenol

2-chloro-5-trifluoromethylpyridine

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