4-[4-[[2-(Trifluoromethyl)phenyl]methylene]-1-piperidinyl]benzoic acid

Base Information

Chemical Name:4-[4-[[2-(Trifluoromethyl)phenyl]methylene]-1-piperidinyl]benzoic acid
CAS No.:916204-06-3
Molecular Formula:C20H18F3NO2
Molecular Weight:361.364
Hs Code.:
DSSTox Substance ID:DTXSID001155313

Synonyms:SCHEMBL1742861;AVKJJAVBZHUZOY-UHFFFAOYSA-N;DTXSID001155313;4-[4-[[2-(Trifluoromethyl)phenyl]methylene]-1-piperidinyl]benzoic acid;916204-06-3;4-[4-[[2-(trifluoromethyl)phenyl]methylidene]piperidin-1-yl]benzoic acid

Suppliers and Price of 4-[4-[[2-(Trifluoromethyl)phenyl]methylene]-1-piperidinyl]benzoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 4-[4-[[2-(Trifluoromethyl)phenyl]methylene]-1-piperidinyl]benzoic acid

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:361.12896330
Heavy Atom Count:26
Complexity:514

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(CCC1=CC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)C(=O)O

Technology Process of 4-[4-[[2-(Trifluoromethyl)phenyl]methylene]-1-piperidinyl]benzoic acid

There total 4 articles about 4-[4-[[2-(Trifluoromethyl)phenyl]methylene]-1-piperidinyl]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:

: ethyl 4-(4-(2-(trifluoromethyl)benzylidene)piperidin-1-yl)benzoate

: 916204-06-3
4-[4-(2-trifluoromethyl-benzylidene)-piperidin-1-yl]-benzoic acid

Guidance literature:: With sodium hydroxide; In 1,4-dioxane; at 90 ℃; for 5h;
DOI:10.1021/jm061152t

Reference yield:

: 395-44-8
o-trifluoromethylbenzyl bromide

: 916204-06-3
4-[4-(2-trifluoromethyl-benzylidene)-piperidin-1-yl]-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: toluene / Heating

2.1: dimsyl sodium / dimethylsulfoxide / 0.17 h / 5 °C

2.2: dimethylsulfoxide / 3 h / 80 °C

3.1: aq. NaOH / dioxane / 5 h / 90 °C

With sodium hydroxide; sodium methylsulfinylmethanide; In 1,4-dioxane; dimethyl sulfoxide; toluene; 2.2: Wittig olefination;
DOI:10.1021/jm061152t

Reference yield:

: 2-trifluoromethylbenzyltriphenylphosphonium bromide

: 916204-06-3
4-[4-(2-trifluoromethyl-benzylidene)-piperidin-1-yl]-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: dimsyl sodium / dimethylsulfoxide / 0.17 h / 5 °C

1.2: dimethylsulfoxide / 3 h / 80 °C

2.1: aq. NaOH / dioxane / 5 h / 90 °C

With sodium hydroxide; sodium methylsulfinylmethanide; In 1,4-dioxane; dimethyl sulfoxide; 1.2: Wittig olefination;
DOI:10.1021/jm061152t