Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]-

Base Information

Chemical Name:Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]-
CAS No.:833485-00-0
Molecular Formula:C15H12F3NO2
Molecular Weight:295.261
Hs Code.:
DSSTox Substance ID:DTXSID30458111
Wikidata:Q82281256

Synonyms:Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]-;833485-00-0;SCHEMBL6238562;DTXSID30458111;DRZZJUJLIWAHCJ-UHFFFAOYSA-N;AKOS011499445

Suppliers and Price of Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]-

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
Packaging
price

Total 1 raw suppliers

Chemical Property of Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]-

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:295.08201311
Heavy Atom Count:21
Complexity:351

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(F)(F)F)NCC2=CC=C(C=C2)C(=O)O

Technology Process of Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]-

There total 3 articles about Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]- 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: 98.0%

: methyl 4-(((2-(trifluoromethyl)phenyl)amino)methyl)benzoate

: 833485-00-0
4-(((2-(trifluoromethyl)phenyl)amino)methyl)benzoic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; for 4h; Reflux;
DOI:10.1016/j.ejmech.2018.09.003

Reference yield:

: 88-17-5
2-(trifluoromethyl)benzenamine

: 833485-00-0
4-(((2-(trifluoromethyl)phenyl)amino)methyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium iodide / dimethyl sulfoxide / 3 h / 60 °C

2: lithium hydroxide / methanol; tetrahydrofuran / 4 h / Reflux

With sodium iodide; lithium hydroxide; In tetrahydrofuran; methanol; dimethyl sulfoxide;
DOI:10.1016/j.ejmech.2018.09.003

Reference yield:

: 2417-72-3
Methyl 4-(bromomethyl)benzoate

: 833485-00-0
4-(((2-(trifluoromethyl)phenyl)amino)methyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium iodide / dimethyl sulfoxide / 3 h / 60 °C

2: lithium hydroxide / methanol; tetrahydrofuran / 4 h / Reflux

With sodium iodide; lithium hydroxide; In tetrahydrofuran; methanol; dimethyl sulfoxide;
DOI:10.1016/j.ejmech.2018.09.003