4-[(Pentadecafluoroheptyl)oxy]benzoic acid

Base Information

• Chemical Name: 4-[(Pentadecafluoroheptyl)oxy]benzoic acid
• CAS No.: 75895-47-5
• Molecular Formula: C₁₄H₅F₁₅O₃
• Molecular Weight: 506.168
• DSSTox Substance ID: DTXSID30896079
• Wikidata: Q82872299
• Mol file: 75895-47-5.mol

Synonyms:4-[(Pentadecafluoroheptyl)oxy]benzoic acid;75895-47-5;SCHEMBL9143147;DTXSID30896079;4-(perfluoro-n-heptoxy)benzoic acid;4-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)oxy]benzoic acid

Chemical Property of 4-[(Pentadecafluoroheptyl)oxy]benzoic acid

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 505.9999164
• Heavy Atom Count: 32
• Complexity: 692

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-[(Pentadecafluoroheptyl)oxy]benzoic acid

There total 3 articles about 4-[(Pentadecafluoroheptyl)oxy]benzoic 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: 85.0%

1-Pentadecafluoroheptyloxy-4-trifluoromethyl-benzene (75895-42-0) → 4-Pentadecafluoroheptyloxy-benzoic acid (75895-47-5)

Guidance literature:

With chlorosulfonic acid; sulfuric acid; silica gel; at 85 - 95 ℃;

Reference yield:

perfluoroheptanoyl chloride (52447-22-0) → 4-Pentadecafluoroheptyloxy-benzoic acid (75895-47-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 79 percent / pyridin / diethyl ether / 3 h / Heating

2: 68 percent / HF, SF₄ / 16 h / 75 - 80 °C / autoclave

3: 85 percent / 94percent H₂SO₄, HSO₃Cl, silica gel / 85 - 95 °C

With pyridine; chlorosulfonic acid; sulfuric acid; sulfur tetrafluoride; hydrogen fluoride; silica gel; In diethyl ether;

Reference yield:

methyl p-(perfluoroenanthyloxy)benzoate (75895-37-3) → 4-Pentadecafluoroheptyloxy-benzoic acid (75895-47-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / HF, SF₄ / 16 h / 75 - 80 °C / autoclave

2: 85 percent / 94percent H₂SO₄, HSO₃Cl, silica gel / 85 - 95 °C

With chlorosulfonic acid; sulfuric acid; sulfur tetrafluoride; hydrogen fluoride; silica gel;

upstream raw materials:

1-Pentadecafluoroheptyloxy-4-trifluoromethyl-benzene

perfluoroheptanoyl chloride

methyl p-(perfluoroenanthyloxy)benzoate