4-(Trifluoromethyl)cyclohex-2-en-1-one

Base Information

• Chemical Name: 4-(Trifluoromethyl)cyclohex-2-en-1-one
• CAS No.: 81206-69-1
• Molecular Formula: C₇H₇F₃O
• Molecular Weight: 164.127
• European Community (EC) Number: 818-639-6
• Mol file: 81206-69-1.mol

Synonyms:4-(trifluoromethyl)cyclohex-2-en-1-one;81206-69-1;4-(trifluoromethyl)-2-Cyclohexen-1-one;AKOS026726683;AT12692;FT-0760003;EN300-140437

Chemical Property of 4-(Trifluoromethyl)cyclohex-2-en-1-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 164.04489933
• Heavy Atom Count: 11
• Complexity: 192

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)C=CC1C(F)(F)F

Technology Process of 4-(Trifluoromethyl)cyclohex-2-en-1-one

There total 3 articles about 4-(Trifluoromethyl)cyclohex-2-en-1-one 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: 81.0%

4-(trifluoromethyl)cyclohexan-1-one (75091-99-5) → 4-(trifluoromethyl)cyclohex-2-en-1-one (81206-69-1)

Guidance literature:

With palladium(II) trifluoroacetate; oxygen; acetic acid; dimethyl sulfoxide; at 80 ℃; for 5h; under 760.051 Torr;

DOI:10.1021/ja206575j

Reference yield: 71.0%

3-methoxy-4-(trifluoromethyl)-1-(trimethylsiloxy)cyclohex-1-ene (343968-80-9) → 4-(trifluoromethyl)cyclohex-2-en-1-one (81206-69-1)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 20 ℃; for 0.166667h;

DOI:10.1021/jo00132a015

Reference yield:

4-(trifluoromethyl)cyclohexan-1-one (75091-99-5) → 4-(trifluoromethyl)cyclohex-2-en-1-one (81206-69-1) + phenol (108-95-2,27073-41-2)

Guidance literature:

With oxygen; In N,N-dimethyl acetamide; at 70 ℃; for 4h; under 760.051 Torr;

DOI:10.1021/acscatal.0c00277

upstream raw materials:

3-methoxy-4-(trifluoromethyl)-1-(trimethylsiloxy)cyclohex-1-ene

4-(trifluoromethyl)cyclohexan-1-one