4,4,4-Trifluoro-1-(4-trifluoromethylphenyl)-1,3-butanedione

Base Information

• Chemical Name: 4,4,4-Trifluoro-1-(4-trifluoromethylphenyl)-1,3-butanedione
• CAS No.: 165328-10-9
• Molecular Formula: C11H6F6O2
• Molecular Weight: 284.158
• DSSTox Substance ID: DTXSID10446197
• Nikkaji Number: J2.756.535B
• Wikidata: Q82264790
• Mol file: 165328-10-9.mol

Synonyms:165328-10-9;4,4,4-Trifluoro-1-(4-trifluoromethylphenyl)-1,3-butanedione;4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione;(4-Trifluoromethylbenzoyl)-3,3,3-trifluoroacetone;4,4,4-Trifluoro-1-(4-(trifluoromethyl)phenyl)butane-1,3-dione;SCHEMBL313164;DTXSID10446197;4,4,4-Trifluoro-1-[4-(trifluoromethyl)-phenyl]butane-1,3-dione;AKOS000210503;AB87805;CS-0360207;EN300-16072813;J-010197;1-(4-trifluoromethyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione;1-[4-(Trifluoromethyl)phenyl]-4,4,4-trifluorobutane-1,3-dione;4,4,4-trifluoro-1-(4-trifluoromethyl-phenyl)-butane-1,3-dione

Chemical Property of 4,4,4-Trifluoro-1-(4-trifluoromethylphenyl)-1,3-butanedione

Chemical Property:

• PSA: 34.14000
• LogP: 3.40960
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 284.02719840
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

99% ^*data from raw suppliers

4,4,4-Trifluoro-1-(4-trifluoromethylphenyl)-1,3-butanedione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CC(=O)C(F)(F)F)C(F)(F)F

Technology Process of 4,4,4-Trifluoro-1-(4-trifluoromethylphenyl)-1,3-butanedione

There total 2 articles about 4,4,4-Trifluoro-1-(4-trifluoromethylphenyl)-1,3-butanedione 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: 63.0%

ethyl trifluoroacetate, (383-63-1) + 1-(4-trifluoromethylphenyl)ethanone (709-63-7) → 4,4,4-trifluoro-1-(4-(trifluoromethyl)phenyl)butane-1,3-dione (165328-10-9)

Guidance literature:

ethyl trifluoroacetate,; With methanol; sodium; at 0 ℃; for 0.5h; Inert atmosphere;

1-(4-trifluoromethylphenyl)ethanone; In methanol; at 0 - 20 ℃; for 19h; Inert atmosphere;

DOI:10.1016/j.tet.2008.12.076

Reference yield:

→ 4,4,4-trifluoro-1-(4-(trifluoromethyl)phenyl)butane-1,3-dione (165328-10-9)

Guidance literature:

Reference yield: 95.0%

trimethylsilyl trifluoromethanesulfonate (27607-77-8) + 4,4,4-trifluoro-1-(4-(trifluoromethyl)phenyl)butane-1,3-dione (165328-10-9) → C14H14F6O2Si

Guidance literature:

With triethylamine; In diethyl ether; at 0 - 20 ℃; for 72.5h; Inert atmosphere;

DOI:10.1016/j.tet.2008.12.076

upstream raw materials:

ethyl trifluoroacetate,

1-(4-trifluoromethylphenyl)ethanone

Downstream raw materials:

C₁₄H₆BrF₆N₃

5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-y1]ethynyl]-2-pyridinamine

C₁₉H₁₅F₆N₃Si

C₁₄H₇F₆N₃