2-Methoxy-4-(trifluoromethyl)benzyl alcohol

Base Information

• Chemical Name: 2-Methoxy-4-(trifluoromethyl)benzyl alcohol
• CAS No.: 286441-68-7
• Molecular Formula: C₉H₉F₃O₂
• Molecular Weight: 206.164
• Hs Code.: 2909498090
• DSSTox Substance ID: DTXSID601258383
• Mol file: 286441-68-7.mol

Synonyms:2-METHOXY-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL;286441-68-7;[2-methoxy-4-(trifluoromethyl)phenyl]methanol;(2-Methoxy-4-(trifluoromethyl)phenyl)methanol;SCHEMBL6498758;OHEBPFPPZUWWHD-UHFFFAOYSA-N;DTXSID601258383;MFCD04115979;AKOS015956546;JS-4316;2-Methoxy-4-(trifluoromethyl)benzenemethanol;CS-0194256;E89768;2-METHOXY-4-(TRIFLUOROMETHYL)BENZYLALCOHOL

Chemical Property of 2-Methoxy-4-(trifluoromethyl)benzyl alcohol

Chemical Property:

• Boiling Point: 241.1±40.0 °C(Predicted)
• PKA: 14.10±0.10(Predicted)
• Density: 1.282±0.06 g/cm3(Predicted)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 206.05546401
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

2-METHOXY-4-(TRIFLUOROMETHYL)BENZYLALCOHOL 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(F)(F)F)CO

Technology Process of 2-Methoxy-4-(trifluoromethyl)benzyl alcohol

There total 2 articles about 2-Methoxy-4-(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: 99.0%

methyl 2-methoxy-4-(trifluoromethyl)benzoate (286441-66-5) → 2-methoxy-4-(trifluoromethyl)benzyl alcohol (286441-68-7)

Guidance literature:

With diisobutylaluminium hydride; In toluene;

DOI:10.1016/j.bmcl.2015.09.005

Reference yield:

methyl 2-fluoro-4-(trifluoromethyl)benzoate (220162-64-1) → 2-methoxy-4-(trifluoromethyl)benzyl alcohol (286441-68-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / methanol / 5 h / 20 °C

2: DIBAL / toluene / 1 h / 0 °C

With diisobutylaluminium hydride; In methanol; toluene; 1: Substitution / 2: Reduction;

DOI:10.1248/cpb.48.694

Reference yield:

2-methoxy-4-(trifluoromethyl)benzyl alcohol (286441-68-7) → 2-methoxy-4-(trifluoromethyl)benzaldehyde (132927-09-4)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 1.3h;

DOI:10.1248/cpb.48.694

upstream raw materials:

methyl 2-methoxy-4-(trifluoromethyl)benzoate

methyl 2-fluoro-4-(trifluoromethyl)benzoate

Downstream raw materials:

2-methoxy-4-(trifluoromethyl)benzaldehyde

(2E,4E)-5-(2-Methoxy-4-trifluoromethyl-phenyl)-penta-2,4-dienal

(2E,4E)-5-(2-Methoxy-4-trifluoromethyl-phenyl)-penta-2,4-dien-1-ol

(2E,4E)-5-(2-Methoxy-4-trifluoromethyl-phenyl)-penta-2,4-dienoic acid ethyl ester