3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol

Base Information

• Chemical Name: 3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol
• CAS No.: 261763-05-7
• Molecular Formula: C₈H₅ClF₄O
• Molecular Weight: 228.574
• Hs Code.: 2906299090
• European Community (EC) Number: 670-679-1
• DSSTox Substance ID: DTXSID30378688
• Wikidata: Q82168209
• Mol file: 261763-05-7.mol

Synonyms:261763-05-7;3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol;[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol;3-chloro-2-fluoro-5-(trifluoromethyl)benzylalcohol;3-chloro-2-fluoro-5-(trifluoromethyl)-benzyl alcohol;(3-chloro-2-fluoro-5-(trifluoromethyl)phenyl)methanol;SCHEMBL16771000;DTXSID30378688;MFCD01631512;AKOS005063701;JS-4142;AC-26168;CS-0193478;FT-0657739;A22680;E89586;(3-Chloro-2-fluoro-5-trifluoromethyl-phenyl)-methanol

Chemical Property of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol

Chemical Property:

• Vapor Pressure: 0.1mmHg at 25°C
• Refractive Index: 1.468
• Boiling Point: 212.9°Cat760mmHg
• Flash Point: 82.5°C
• PSA: 20.23000
• Density: 1.494g/cm³
• LogP: 2.99020
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 227.9965051
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-2-fluoro-5-(trifluoromethyl)benzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1CO)F)Cl)C(F)(F)F

Technology Process of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol

There total 1 articles about 3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl alcohol 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:

3-chloro-2-fluoro-5-(trifluoromethyl)benzoic acid (129931-45-9) → (3-chloro-2-fluoro-5-(trifluoromethyl)phenyl)methanol (261763-05-7)

Guidance literature:

With borane-THF; at 0 - 20 ℃; for 1h;

Reference yield:

(3-chloro-2-fluoro-5-(trifluoromethyl)phenyl)methanol (261763-05-7) → (2-fluoro-5-(trifluoromethyl)phenyl)methanol (207974-09-2)

Guidance literature:

With hydrogen; triethylamine; In methanol; water; at 130 ℃; for 20h; under 22502.3 Torr; Autoclave; Sealed tube;

DOI:10.1002/cssc.202102315

Reference yield:

(3-chloro-2-fluoro-5-(trifluoromethyl)phenyl)methanol (261763-05-7) → methyl 4-((1-(3-chloro-2-fluoro-5-(trifluoromethyl)benzyl)-4-cyanopiperidin-4-yl)methoxy)-5-cyclopropyl-2-fluorobenzoate

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 16 h / 0 - 20 °C

2: potassium carbonate / acetonitrile / 16 h / 80 °C

With potassium carbonate; triethylamine; In dichloromethane; acetonitrile;

upstream raw materials:

3-chloro-2-fluoro-5-(trifluoromethyl)benzoic acid

Downstream raw materials:

(2-fluoro-5-(trifluoromethyl)phenyl)methanol