1-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroethan-1-ol

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroethan-1-ol
• CAS No.: 131252-26-1
• Molecular Formula: C₁₀H₁₁F₃O₃
• Molecular Weight: 236.191
• DSSTox Substance ID: DTXSID001239686
• Nikkaji Number: J359.761J

Synonyms:131252-26-1;1-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroethan-1-ol;3,4-Dimethoxy-alpha-(trifluoromethyl)benzylAlcohol;3,4-Dimethoxy-alpha-(trifluoromethyl)benzyl Alcohol;SCHEMBL7120860;QJIGHVHBCKDJTB-UHFFFAOYSA-N;DTXSID001239686;MFCD12786832;SY250166;CS-0352308;EN300-1933220;1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanol;2,2,2-Trifluoro-1-(3,4-dimethoxyphenyl)ethanol;3,4-Dimethoxy-alpha-(trifluoromethyl)benzenemethanol

Chemical Property of 1-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroethan-1-ol

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 236.06602869
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroethan-1-ol

There total 7 articles about 1-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroethan-1-ol 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: 90.0%

(trifluoromethyl)trimethylsilane (81290-20-2) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 1-(3,4-dimetoksyfenylo)-2,2,2-trifluoroetan-1-ol (131252-26-1)

Guidance literature:

(trifluoromethyl)trimethylsilane; 3,4-dimethoxy-benzaldehyde; With tetrabutyl ammonium fluoride; In tetrahydrofuran; at -20 - 20 ℃; for 6h;

With water; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

DOI:10.1002/chem.201601581

Reference yield: 51.0%

trifluoromethan (75-46-7) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 1-(3,4-dimetoksyfenylo)-2,2,2-trifluoroetan-1-ol (131252-26-1)

Guidance literature:

trifluoromethan; With potassium dimsylate; N,N-dimethyl-formamide; In dimethyl sulfoxide; at -40 ℃; for 0.5h;

3,4-dimethoxy-benzaldehyde; With N,N-dimethyl-formamide; In dimethyl sulfoxide; at -40 - 0 ℃;

DOI:10.1016/S0040-4020(99)00951-5

Reference yield: 37.4%

1,2-dimethoxybenzene (91-16-7) + ethyl trifluoroacetaldehyde hemiacetal (433-27-2) → 1-(3,4-dimetoksyfenylo)-2,2,2-trifluoroetan-1-ol (131252-26-1) + 2,2,2-trifluoro-1,1-bis(3,4-dimethoxyphenyl)-ethane (102626-50-6)

Guidance literature:

With aluminium trichloride; In Petroleum ether; for 16h; Ambient temperature;

upstream raw materials:

trifluoromethan

3,4-dimethoxy-benzaldehyde

1,2-dimethoxybenzene

ethyl trifluoroacetaldehyde hemiacetal

Downstream raw materials:

1-(3,4-dimethoxyphenylo)-2,2,2-trifluoroethan-1-one

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