2-Fluoro-5-(trifluoromethyl)phenol

Base Information

• Chemical Name: 2-Fluoro-5-(trifluoromethyl)phenol
• CAS No.: 141483-15-0
• Molecular Formula: C7H4F4O
• Molecular Weight: 180.102
• Hs Code.: 29081990
• Mol file: 141483-15-0.mol

Synonyms:2-Fluoro-5-trifluoromethylphenol;4-Fluoro-3-hydroxybenzotrifluoride;5-(Trifluoromethyl)-2-fluorophenol;

Chemical Property of 2-Fluoro-5-(trifluoromethyl)phenol

Chemical Property:

• Appearance/Colour: Clear colorless to orange liquid
• Vapor Pressure: 1.59mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 163.294 °C at 760 mmHg
• PKA: 7.70±0.10(Predicted)
• Flash Point: 52.559 °C
• PSA: 20.23000
• Density: 1.434 g/cm³
• LogP: 2.55010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

2-Fluoro-5-(trifluoromethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T
• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 2-Fluoro-5-(trifluoromethyl)phenol

There total 5 articles about 2-Fluoro-5-(trifluoromethyl)phenol 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: 80.0%

2-(2-fluoro-5-trifluoromethylphenoxy)pyridine → 2-fluoro-5-trifluoromethylphenol (141483-15-0)

Guidance literature:

2-(2-fluoro-5-trifluoromethylphenoxy)pyridine; With methyl trifluoromethanesulfonate; In toluene; at 100 ℃; for 2h; Inert atmosphere;

With sodium ethanolate; for 1h; Reflux; Inert atmosphere;

Reference yield: 73.0%

2-(benzyloxy)-1-fluoro-4-(trifluoromethyl)benzene (847148-74-7) → 2-fluoro-5-trifluoromethylphenol (141483-15-0)

Guidance literature:

With palladium diacetate; sodium hydride; In N,N-dimethyl acetamide; at 25 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acscatal.8b00185

Reference yield:

3-Trifluoromethylphenol (98-17-9) → 2-fluoro-5-trifluoromethylphenol (141483-15-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: copper(l) iodide; 2-Picolinic acid; potassium phosphate / dimethyl sulfoxide / 24 h / 80 °C / Inert atmosphere

2.1: bis(dibenzylideneacetone)-palladium⁽⁰⁾; N-fluorobis(benzenesulfon)imide; potassium nitrate / ethyl acetate / 5 h / 110 °C

3.1: methyl trifluoromethanesulfonate / toluene / 2 h / 100 °C / Inert atmosphere

3.2: 1 h / Reflux; Inert atmosphere

With 2-Picolinic acid; potassium phosphate; copper(l) iodide; potassium nitrate; N-fluorobis(benzenesulfon)imide; methyl trifluoromethanesulfonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In dimethyl sulfoxide; ethyl acetate; toluene;

upstream raw materials:

3-Trifluoromethylphenol

2-{3-(trifluoromethyl)phenoxy}pyridine

2-(benzyloxy)-1-fluoro-4-(trifluoromethyl)benzene

Downstream raw materials:

4-fluoro-3-hydroxybenzoic acid

2,3,3-trimethyl-6-trifluoromethylindolenine

2-(benzyloxy)-1-methoxy-4-(trifluoromethyl)benzene

Refernces

• 1、 -. "Synthesis of 2 - fluoro phenol compounds". . . Retrieved 2017/04/21.