1,1,1,2,6,7,7,7-Octafluoro-2,6-bis(trifluoromethyl)heptane-3,4,5-trione

Base Information

• Chemical Name: 1,1,1,2,6,7,7,7-Octafluoro-2,6-bis(trifluoromethyl)heptane-3,4,5-trione
• CAS No.: 199191-75-8
• Molecular Formula: C₉F₁₄O₃
• Molecular Weight: 422.075
• DSSTox Substance ID: DTXSID901152180
• Nikkaji Number: J1.310.304F

Synonyms:DTXSID901152180;199191-75-8;1,1,1,2,6,7,7,7-Octafluoro-2,6-bis(trifluoromethyl)-3,4,5-heptanetrione

Chemical Property of 1,1,1,2,6,7,7,7-Octafluoro-2,6-bis(trifluoromethyl)heptane-3,4,5-trione

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 4
• Exact Mass: 421.9623881
• Heavy Atom Count: 26
• Complexity: 523

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,1,1,2,6,7,7,7-Octafluoro-2,6-bis(trifluoromethyl)heptane-3,4,5-trione

There total 1 articles about 1,1,1,2,6,7,7,7-Octafluoro-2,6-bis(trifluoromethyl)heptane-3,4,5-trione 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:

acetic acid (64-19-7,77671-22-8) + Perfluoro-4,5-bisfluorosulfonyloxy-2,6-dimethylheptane-3-one (281206-28-8) → 1,1,1,2,3,3,3-Heptafluoropropane (431-89-0) + heptafluoro-isobutyric acid (335-10-4) + Perfluorodiisopropyl α-triketone (199191-75-8)

Guidance literature:

acetic acid; Perfluoro-4,5-bisfluorosulfonyloxy-2,6-dimethylheptane-3-one; With sodium acetate; at 30 ℃; for 1h;

With sulfuric acid;

DOI:10.1016/S0022-1139(99)00258-4

Reference yield:

germanium tris(pentalfuorophenyl) (99715-67-0) + Perfluorodiisopropyl α-triketone (199191-75-8) → (CF3)2C(F)C(O)C(OGe(C6F5)3)C(O)CF(CF3)2

Guidance literature:

evacuated quartz ampoules, UV irradiation; products not isolated, reaction monitoring by ESR;

DOI:10.1007/BF02496163

Reference yield:

triphenylgermane (2816-43-5) + Perfluorodiisopropyl α-triketone (199191-75-8) → C27H15F14GeO3

Guidance literature:

With tert-butoxyl radical; Further Variations:; Reaction partners; Product distribution;

DOI:10.1007/BF02496163

upstream raw materials:

acetic acid

Perfluoro-4,5-bisfluorosulfonyloxy-2,6-dimethylheptane-3-one

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