2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol
• CAS No.: 26902-84-1
• Molecular Formula: C9H9F3O2
• Molecular Weight: 206.164
• DSSTox Substance ID: DTXSID30385231
• Nikkaji Number: J3.133.216H
• Mol file: 26902-84-1.mol

Synonyms:2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol;26902-84-1;2,2,2-trifluoro-1-(2-methoxyphenyl)ethan-1-ol;MFCD00461899;CBMicro_047986;2-Methoxy-alpha-(trifluoromethyl)benzyl Alcohol;SCHEMBL3991189;DTXSID30385231;AKOS010909216;SY249794;BIM-0047931.P001;CS-0303143;1-(2-Methoxyphenyl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1 -(2-methoxyphenyl)ethanol;EN300-1936810;SR-01000196509;J-506716;SR-01000196509-1

Chemical Property of 2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol

Chemical Property:

• PSA: 29.46000
• LogP: 2.29090
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• 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:

98.5% ^*data from raw suppliers

2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(C(F)(F)F)O

Technology Process of 2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol

There total 12 articles about 2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol 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%

(trifluoromethyl)trimethylsilane (81290-20-2) + ortho-anisaldehyde (135-02-4) → 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (26902-84-1)

Guidance literature:

(trifluoromethyl)trimethylsilane; ortho-anisaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

With water; In N,N-dimethyl-formamide; for 4h; Acidic conditions;

DOI:10.1016/j.tetlet.2013.06.045

Reference yield: 75.0%

C8H16F6N2Zn + ortho-anisaldehyde (135-02-4) → 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (26902-84-1)

Guidance literature:

With tetrabutylammonium acetate; In N,N-dimethyl-formamide; at 20 - 40 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02439

Reference yield: 65.0%

ethyl trifluoroacetate, (383-63-1) + 2-bromoanisole (578-57-4) → 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (26902-84-1)

Guidance literature:

2-bromoanisole; With n-butyllithium; In tetrahydrofuran; hexane; at -80 ℃; for 0.5h;

ethyl trifluoroacetate,; With magnesium bromide; In tetrahydrofuran; hexane; at -80 ℃; for 1.5h;

With isopropyl alcohol; In tetrahydrofuran; hexane; at 80 ℃; for 18h;

DOI:10.1016/j.tet.2021.132574

upstream raw materials:

2'-methoxy-2,2,2-trifluoroacetophenone

trifluoromethan

ortho-anisaldehyde

2,2,2-Trifluoroacetaldehyde

Downstream raw materials:

2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanol

2'-methoxy-2,2,2-trifluoroacetophenone