1,1,1-Trifluorododec-11-en-2-one

Base Information

• Chemical Name: 1,1,1-Trifluorododec-11-en-2-one
• CAS No.: 141023-04-3
• Molecular Formula: C12H19 F3 O
• Molecular Weight: 236.277
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80571889
• Nikkaji Number: J880.836H
• Wikidata: Q82460076
• Mol file: 141023-04-3.mol

Synonyms:1,1,1-trifluorododec-11-en-2-one;141023-04-3;1,1,1-TRIFLUORO-11-DODECENE-2-ONE;DTXSID80571889;FGCAHPYINYMPEK-UHFFFAOYSA-N;AKOS017342861;1,1,1-trifluoro-dodec-11-en-2-one

Chemical Property of 1,1,1-Trifluorododec-11-en-2-one

Chemical Property:

• PSA: 17.07000
• LogP: 4.42460
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 236.13879971
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

1,1,1-TRIFLUORO-11-DODECENE-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCCCC(=O)C(F)(F)F

Technology Process of 1,1,1-Trifluorododec-11-en-2-one

There total 5 articles about 1,1,1-Trifluorododec-11-en-2-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: 96.0%

Methyl 10-undecenoate (111-81-9) + phenyl trifluoromethylsulfide (456-56-4) → 1,1,1-trifluoro-11-dodecen-2-one (141023-04-3)

Guidance literature:

With Triethylgermyl-natrium; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at -60 ℃; for 1.5h;

DOI:10.1055/s-1997-961

Reference yield: 78.0%

ethyl trifluoroacetate, (383-63-1) + 10-undecenoic acid (112-38-9) → 1,1,1-trifluoro-11-dodecen-2-one (141023-04-3)

Guidance literature:

10-undecenoic acid; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -65 - 20 ℃; for 2h; Inert atmosphere;

ethyl trifluoroacetate,; at -65 - 20 ℃; for 1h;

DOI:10.1002/anie.202104031

Reference yield: 76.0%

undec-10-enoyl chloride (38460-95-6) + trifluoroacetic anhydride (407-25-0) → 1,1,1-trifluoro-11-dodecen-2-one (141023-04-3)

Guidance literature:

With pyridine; In diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)91602-2

upstream raw materials:

undec-10-enoyl chloride

trifluoroacetic anhydride

Methyl 10-undecenoate

phenyl trifluoromethylsulfide