2-Methoxy-5-(trifluoromethyl)phenol

Base Information

• Chemical Name: 2-Methoxy-5-(trifluoromethyl)phenol
• CAS No.: 349-67-7
• Molecular Formula: C8H7F3O2
• Molecular Weight: 192.138
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID901295275
• Mol file: 349-67-7.mol

Synonyms:2-methoxy-5-(trifluoromethyl)phenol;349-67-7;2-methoxy-5-trifluoromethylphenol;PHENOL, 2-METHOXY-5-(TRIFLUOROMETHYL)-;SCHEMBL1331644;DTXSID901295275;MFCD09832299;AKOS005264422;MB07751;BS-16636;CS-0150587;C74793;EN300-1930923

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

Chemical Property:

• Boiling Point: 104-105 °C(Press: 12 Torr)
• PKA: 8.97±0.10(Predicted)
• PSA: 29.46000
• Density: 1.321±0.06 g/cm3(Predicted)
• LogP: 2.41960
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• 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:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(F)(F)F)O

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

There total 4 articles about 2-Methoxy-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: 95.0%

(2-methoxy-5-(trifluoromethyl)phenyl)boronic acid (240139-82-6) → 2-methoxy-5-(trifluoromethyl)phenol (349-67-7)

Guidance literature:

With dihydrogen peroxide; In ethanol; at 80 ℃; for 2h;

Reference yield:

methyl 4-(trifluoromethyl)phenyl ether (402-52-8) → 2-methoxy-5-(trifluoromethyl)phenol (349-67-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; cyclohexane / -30 °C

1.2: 82 percent / triisopropyl borate / tetrahydrofuran; cyclohexane / -70 - 20 °C

2.1: 82 percent / aq. H₂O₂ / ethanol / 2.5 h / Heating

With n-butyllithium; dihydrogen peroxide; In tetrahydrofuran; ethanol; cyclohexane;

DOI:10.1021/jm031111m

Reference yield:

→ 2-methoxy-5-(trifluoromethyl)phenol (349-67-7)

Guidance literature:

With sulfuric acid; copper(II) sulfate;

DOI:10.1039/jr9490003016

upstream raw materials:

(2-methoxy-5-(trifluoromethyl)phenyl)boronic acid

methyl 4-(trifluoromethyl)phenyl ether

Downstream raw materials:

1-methoxy-2,5-bis-(4-nitro-benzoyloxy)-4-trifluoromethyl-benzene

Isovanillic acid

4-nitro-benzoic acid-(2-methoxy-5-trifluoromethyl-phenyl ester)

2-methoxy-5-trifluoromethyl-hydroquinone

Refernces

• 1、 -. "PHENOXIACETIC ACID DERIVATIVES". Page/Page column 50. . Retrieved 2008/06/13.