2-{[2-(Trifluoromethyl)-4-pyridinyl]amino}benzenecarboxylic acid

Base Information

Chemical Name:2-{[2-(Trifluoromethyl)-4-pyridinyl]amino}benzenecarboxylic acid
CAS No.:478068-00-7
Molecular Formula:C₁₃H₉F₃N₂O₂
Molecular Weight:282.222
Hs Code.:
NSC Number:726658
DSSTox Substance ID:DTXSID601207461
ChEMBL ID:CHEMBL366063

Synonyms:478068-00-7;2-{[2-(trifluoromethyl)-4-pyridinyl]amino}benzenecarboxylic acid;2-{[2-(trifluoromethyl)pyridin-4-yl]amino}benzoic acid;2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoic Acid;MLS001165661;SMR000550087;2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid;CHEMBL366063;SCHEMBL1026299;BDBM69785;cid_1484876;DTXSID601207461;HMS2873I23;MFCD02186238;NSC726658;AKOS015993424;NSC-726658;7P-011;2-[[2-(trifluoromethyl)-4-pyridyl]amino]benzoic acid;N-(2-(trifluoromethyl)pyridine-4-yl)anthranilic acid;2-{[2-(trifluoromethyl)pyridin-4-yl]amino}benzoicacid

Suppliers and Price of 2-{[2-(Trifluoromethyl)-4-pyridinyl]amino}benzenecarboxylic acid

Supply Marketing:

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

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Chemical Property of 2-{[2-(Trifluoromethyl)-4-pyridinyl]amino}benzenecarboxylic acid

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:282.06161202
Heavy Atom Count:20
Complexity:349

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)NC2=CC(=NC=C2)C(F)(F)F

Technology Process of 2-{[2-(Trifluoromethyl)-4-pyridinyl]amino}benzenecarboxylic acid

There total 6 articles about 2-{[2-(Trifluoromethyl)-4-pyridinyl]amino}benzenecarboxylic 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: 92.0%

: 338393-28-5
N-(2-(1,1,1-trifluoromethyl)pyridin-4-yl)anthranilic acid methyl ester

: 478068-00-7
N-(2-(1,1,1-trifluoromethyl)pyridin-4-yl)anthranilic acid

Guidance literature:: With sodium hydroxide; for 0.5h; Heating;
DOI:10.1021/jm050711d

Reference yield:

: 118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4
anthranilic acid

: 478068-00-7
N-(2-(1,1,1-trifluoromethyl)pyridin-4-yl)anthranilic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / acetonitrile / 25 h

2: 92 percent / toluene / 25 h

3: 86 percent / ammonium acetate / dimethylformamide / 3 h / Heating

4: 92 percent / aq. NaOH / 0.5 h / Heating

With ammonium acetate; sodium hydroxide; In N,N-dimethyl-formamide; toluene; acetonitrile;
DOI:10.1021/jm050711d

Reference yield:

: 872508-33-3
(3Z,5E)-6-(dimethylamino)-1,1,1-trifluoro-4-(2-(methoxycarbonyl)phenylamino)hexa-3,5-dien-2-one

: 478068-00-7
N-(2-(1,1,1-trifluoromethyl)pyridin-4-yl)anthranilic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / ammonium acetate / dimethylformamide / 3 h / Heating

2: 92 percent / aq. NaOH / 0.5 h / Heating

With ammonium acetate; sodium hydroxide; In N,N-dimethyl-formamide;
DOI:10.1021/jm050711d