5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid

Base Information

• Chemical Name: 5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid
• CAS No.: 129991-14-6
• Molecular Formula: C₉H₅F₁₃O₂
• Molecular Weight: 392.117
• Hs Code.: 2915907098
• DSSTox Substance ID: DTXSID00379248
• Wikidata: Q82168977
• Mol file: 129991-14-6.mol

Synonyms:5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid;129991-14-6;4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluoroheptanoic acid;SCHEMBL7824368;DTXSID00379248;QOUXPUNWZRSOCX-UHFFFAOYSA-N;MFCD00155804;AKOS008901167;4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluoroheptanoicacid

Chemical Property of 5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 392.0081955
• Heavy Atom Count: 24
• Complexity: 455

Purity/Quality:

99%min. ^*data from raw suppliers

4,4-Bis(trifluoromethyl)-2H,2H,3H,3H-heptafluoroheptanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid

There total 1 articles about 5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid 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: 74.0%

5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)-1-heptanol (110254-90-5) → 3-(Perfluoro-1,1-dimethylbutyl)propionic acid (129991-14-6)

Guidance literature:

With potassium permanganate; tetra(n-butyl)ammonium hydrogensulfate; In water; at 65 - 70 ℃; for 24h;

DOI:10.1016/S0022-1139(00)82603-2

upstream raw materials:

5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)-1-heptanol