2-Methyl-4-(trifluoromethoxy)phenol

Base Information

• Chemical Name: 2-Methyl-4-(trifluoromethoxy)phenol
• CAS No.: 129676-67-1
• Molecular Formula: C8H7F3O2
• Molecular Weight: 192.138
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID40382579
• Wikidata: Q82173940
• Mol file: 129676-67-1.mol

Synonyms:2-methyl-4-(trifluoromethoxy)phenol;129676-67-1;2-Methyl-4-trifluoromethoxy-phenol;Phenol, 2-methyl-4-(trifluoromethoxy)-;SCHEMBL370445;DTXSID40382579;QMIXWHAIFDQEDH-UHFFFAOYSA-N;YBGLSLAOHABDLS-UHFFFAOYSA-N;MFCD04972927;AKOS006228628;PS-11527;CS-0087998;FT-0691779;D95529

Chemical Property of 2-Methyl-4-(trifluoromethoxy)phenol

Chemical Property:

• Vapor Pressure: 0.195mmHg at 25°C
• Boiling Point: 203.4°C at 760 mmHg
• PKA: 9.70±0.18(Predicted)
• Flash Point: 102.1°C
• PSA: 29.46000
• Density: 1.329g/cm³
• LogP: 2.59920
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• 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%min ^*data from raw suppliers

2-Methyl-4-(trifluoromethoxy)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC(F)(F)F)O

Technology Process of 2-Methyl-4-(trifluoromethoxy)phenol

There total 1 articles about 2-Methyl-4-(trifluoromethoxy)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:

2-methyl-4-trifluoromethoxy-phenylamine (86256-59-9) → 2-methyl-4-(trifluoromethoxy)phenol (129676-67-1)

Guidance literature:

Reference yield: 99.0%

2-methyl-4-(trifluoromethoxy)phenol (129676-67-1) + ethyl 3,5-difluoro-2-(trifluoromethyl)pyridine-4-carboxylate → C17H12F7NO4

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; for 1.5h; Cooling with ice; Inert atmosphere;

Reference yield: 38.0%

2-methyl-4-(trifluoromethoxy)phenol (129676-67-1) + 2-fluoro-N-(6-oxo-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide → 2-(2-methyl-4-(trifluoromethoxy)phenoxy)-N-(6-oxo-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 8h; Inert atmosphere;

upstream raw materials:

2-methyl-4-trifluoromethoxy-phenylamine

Downstream raw materials:

2-hydroxy-3-methyl-5-(trifluoromethoxy)benzaldehyde

Refernces