4-Cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate

Base Information

Chemical Name:4-Cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate
CAS No.:104958-57-8
Molecular Formula:C₁₇H₁₂F₃NO₂
Molecular Weight:319.283
Hs Code.:
DSSTox Substance ID:DTXSID601242534

Synonyms:4-Cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate;DTXSID601242534;104958-57-8

Suppliers and Price of 4-Cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:319.08201311
Heavy Atom Count:23
Complexity:439

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CCC(F)(F)F)C(=O)OC2=CC=C(C=C2)C#N

Technology Process of 4-Cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate

There total 3 articles about 4-Cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate 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:

: 104958-55-6
4-(3,3,3-trifluoropropyl)benzoic acid

: 104958-57-8
4-cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / pyridine / 3 h / Heating

2: pyridine / 2 h / 40 °C

With thionyl chloride; pyridine; In pyridine;

Reference yield:

: 88950-94-1
4-(perfluoropropyl)benzoic acid

: 104958-57-8
4-cyanophenyl 4-(3,3,3-trifluoropropyl)benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 30 percent / 1N NaOH, hydrogen / Raney nickel / methanol / 7 h / 20 °C

2: thionyl chloride / pyridine / 3 h / Heating

3: pyridine / 2 h / 40 °C

With sodium hydroxide; thionyl chloride; hydrogen; pyridine; nickel; In pyridine; methanol;