2-Methoxy-4-(trifluoromethyl)phenol

Base Information

• Chemical Name: 2-Methoxy-4-(trifluoromethyl)phenol
• CAS No.: 1027888-79-4
• Molecular Formula: C₈H₇F₃O₂
• Molecular Weight: 192.138
• Hs Code.: 2907199090
• European Community (EC) Number: 813-809-6
• Mol file: 1027888-79-4.mol

Synonyms:2-methoxy-4-(trifluoromethyl)phenol;1027888-79-4;SCHEMBL365716;4-Hydroxy-3-methoxybenzotrifluoride;MFCD13185693;MB13381;AS-43959;CS-0163522

Chemical Property of 2-Methoxy-4-(trifluoromethyl)phenol

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.03981395
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-4-(trifluoromethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(F)(F)F)O
• Uses: 2-Methoxy-4-(trifluoromethyl)phenol was used for preparation of aryloxybenzylmorpholines as dual serotonin and noradrenaline reuptake inhibitors.

Technology Process of 2-Methoxy-4-(trifluoromethyl)phenol

There total 7 articles about 2-Methoxy-4-(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: 98.0%

C15H13F3O2 → 2-methoxy-4-(trifluoromethyl)phenol (1027888-79-4)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol;

DOI:10.1016/j.bmcl.2015.09.005

Reference yield:

C9H7F3O3 → 2-methoxy-4-(trifluoromethyl)phenol (1027888-79-4)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 20 ℃; for 2h;

DOI:10.1124/mol.113.091249

Reference yield:

2-methoxy-4-(trifluoromethyl)benzaldehyde (132927-09-4) → 2-methoxy-4-(trifluoromethyl)phenol (1027888-79-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 20 °C

2: toluene-4-sulfonic acid / methanol / 2 h / 20 °C

With toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane;

DOI:10.1124/mol.113.091249

upstream raw materials:

2-methoxy-4-(trifluoromethyl)benzaldehyde

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

2-bromo-4-(trifluoromethyl)phenol

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