3-Chloro-5-(trifluoromethoxy)benzyl alcohol

Base Information

• Chemical Name: 3-Chloro-5-(trifluoromethoxy)benzyl alcohol
• CAS No.: 433926-47-7
• Molecular Formula: C8H6ClF3O2
• Molecular Weight: 226.583
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID80590671
• Wikidata: Q82484308
• Mol file: 433926-47-7.mol

Synonyms:3-Chloro-5-(trifluoromethoxy)benzyl alcohol;433926-47-7;[3-Chloro-5-(trifluoromethoxy)phenyl]methanol;(3-CHLORO-5-(TRIFLUOROMETHOXY)PHENYL)METHANOL;3-Chloro-5-trifluoromethoxybenzyl alcohol;SCHEMBL3161791;DTXSID80590671;MFCD06660310;AKOS015956896;AB26716;JS-4480;3-Chloro-5-(trifluoromethoxy)benzylalcohol;DB-304575;CS-0327326;(3-chloro-5-trifluoromethoxy-phenyl)-methanol

Chemical Property of 3-Chloro-5-(trifluoromethoxy)benzyl alcohol

Chemical Property:

• PSA: 29.46000
• LogP: 2.73090
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 226.0008416
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-5-(trifluoromethoxy)benzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1OC(F)(F)F)Cl)CO

Technology Process of 3-Chloro-5-(trifluoromethoxy)benzyl alcohol

There total 1 articles about 3-Chloro-5-(trifluoromethoxy)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: 100.0%

3-chloro-5-(trifluoromethoxy)benzoic acid (433926-46-6) → (3-chloro-5-trifluoromethoxy-phenyl)-methanol (433926-47-7)

Guidance literature:

3-chloro-5-(trifluoromethoxy)benzoic acid; With borane-THF; In tetrahydrofuran; at 20 ℃; for 20h; Heating / reflux;

With water; In tetrahydrofuran;

Reference yield: 99.0%

(3-chloro-5-trifluoromethoxy-phenyl)-methanol (433926-47-7) + methanesulfonyl chloride (124-63-0) → 3-chloro-5-trifluoromethoxybenzyl mesylate (433938-68-2)

Guidance literature:

(3-chloro-5-trifluoromethoxy-phenyl)-methanol; methanesulfonyl chloride; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 1.5h;

With water; In dichloromethane;

Reference yield: 95.0%

(3-chloro-5-trifluoromethoxy-phenyl)-methanol (433926-47-7) → 3-chloro-5-(trifluoromethoxy)benzaldehyde (433926-48-8)

Guidance literature:

(3-chloro-5-trifluoromethoxy-phenyl)-methanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 1.16667h;

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -78 ℃; for 19.6667h;

upstream raw materials:

3-chloro-5-(trifluoromethoxy)benzoic acid

Downstream raw materials:

1-bromomethyl-3-chloro-5-trifluoromethoxy-benzene

3-chloro-5-trifluoromethoxybenzyl mesylate

3-chloro-5-(trifluoromethoxy)benzaldehyde