[2,6-Bis(trifluoromethyl)phenyl]methanol

Base Information

• Chemical Name: [2,6-Bis(trifluoromethyl)phenyl]methanol
• CAS No.: 152211-16-0
• Molecular Formula: C9H6F6O
• Molecular Weight: 244.136
• DSSTox Substance ID: DTXSID60571802
• Wikidata: Q82459978
• Mol file: 152211-16-0.mol

Synonyms:152211-16-0;Benzenemethanol, 2,6-bis(trifluoromethyl)-;[2,6-Bis(trifluoromethyl)phenyl]methanol;2,6-Bis(trifluoromethyl)benzyl alcohol;(2,6-Bis(trifluoromethyl)phenyl)methanol;SCHEMBL954859;DTXSID60571802;2,6-bis-trifluoromethyl-benzyl alcohol;(2,6-bis-trifluoromethyl-phenyl)-methanol;CS-0191310

Chemical Property of [2,6-Bis(trifluoromethyl)phenyl]methanol

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 244.03228378
• Heavy Atom Count: 16
• Complexity: 211

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)C(F)(F)F)CO)C(F)(F)F

Technology Process of [2,6-Bis(trifluoromethyl)phenyl]methanol

There total 5 articles about [2,6-Bis(trifluoromethyl)phenyl]methanol 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%

→ (2,6-bis(trifluoromethyl)phenyl)methanol (152211-16-0)

Guidance literature:

Reference yield: 72.5%

2,6-bis(trifluoromethyl)benzoyl fluoride (24821-24-7) → (2,6-bis(trifluoromethyl)phenyl)methanol (152211-16-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 15 ℃;

DOI:10.1016/S0040-4020(98)00362-7

Reference yield: 40.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3-bis(trifluoromethyl)benzene (402-31-3) → (2,6-bis(trifluoromethyl)phenyl)methanol (152211-16-0)

Guidance literature:

1,3-bis(trifluoromethyl)benzene; With potassium tert-butylate; In tetrahydrofuran; at -70 ℃; for 0.5h;

With n-butyllithium; In tetrahydrofuran; hexane; at -70 ℃; for 1.5h;

formaldehyd; In tetrahydrofuran; hexane; at -70 - 20 ℃; for 3.5h;

upstream raw materials:

2,6-bis(trifluoromethyl)benzoyl fluoride

1,3-bis(trifluoromethyl)benzene

2,6-bis(trifluoromethyl)benzoic acid

formaldehyd

Downstream raw materials:

2,6-bis(trifluoromethyl)benzyl bromide