5-amino-2-(trifluoromethoxy)benzoic Acid

Base Information

Chemical Name:5-amino-2-(trifluoromethoxy)benzoic Acid
CAS No.:307989-56-6
Molecular Formula:C8H6F3NO3
Molecular Weight:221.13300
Hs Code.:
DSSTox Substance ID:DTXSID701274336
Mol file:307989-56-6.mol

Synonyms:5-amino-2-(trifluoromethoxy)benzoic Acid;307989-56-6;Benzoic acid, 5-amino-2-(trifluoromethoxy)-;Benzoic acid, 5-?amino-?2-?(trifluoromethoxy)?-;SCHEMBL2651040;DTXSID701274336;AMY28357;MFCD15527344;5-amino-2-trifluoromethoxybenzoic acid;AKOS027252784;SB80228;5-amino-2-(trifluoromethoxy)benzoicAcid;AS-65912;CS-0060356;I10909;EN300-7396800

Suppliers and Price of 5-amino-2-(trifluoromethoxy)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
Packaging
price

Crysdot
5-Amino-2-(trifluoromethoxy)benzoicacid 95+%
5g
$ 698.00

ChemScene
5-Amino-2-(trifluoromethoxy)benzoicacid
5g
$ 234.00

ChemScene
5-Amino-2-(trifluoromethoxy)benzoicacid
1g
$ 79.00

Chemenu
5-Amino-2-(trifluoromethoxy)benzoicacid 95%
5g
$ 659.00

Alichem
5-Amino-2-(trifluoromethoxy)benzoicacid
1g
$ 1475.10

Alichem
5-Amino-2-(trifluoromethoxy)benzoicacid
500mg
$ 790.55

Alichem
5-Amino-2-(trifluoromethoxy)benzoicacid
250mg
$ 489.60

AK Scientific
5-AMINO-2-(TRIFLUOROMETHOXY)BENZOICACID
1g
$ 430.40

Total 17 raw suppliers

Chemical Property of 5-amino-2-(trifluoromethoxy)benzoic Acid

Chemical Property:

Boiling Point:313.5±42.0 °C(Predicted)
PKA:2.06±0.36(Predicted)
PSA：72.55000
Density:1.528±0.06 g/cm3(Predicted)
LogP:2.44680
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:221.02997754
Heavy Atom Count:15
Complexity:244

Purity/Quality:

98% ^*data from raw suppliers

5-Amino-2-(trifluoromethoxy)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1N)C(=O)O)OC(F)(F)F

Technology Process of 5-amino-2-(trifluoromethoxy)benzoic Acid

There total 3 articles about 5-amino-2-(trifluoromethoxy)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: 48.0%

: 124-38-9,18923-20-1
carbon dioxide

: 4-trifluoromethoxy-N,N-bis(trimethylsilyl)aniline

: 307989-56-6
5-amino-2-(trifluoromethoxy)benzoic acid

Guidance literature:: 4-trifluoromethoxy-N,N-bis(trimethylsilyl)aniline; With N,N,N',N'',N'''-pentamethyldiethylenetriamine; sec.-butyllithium; In tetrahydrofuran; hexane; at -75 ℃;

carbon dioxide; In tetrahydrofuran; hexane;
DOI:10.1021/jo0267798

Reference yield:

: 307989-55-5
5-nitro-2-trifluoromethoxybenzoic acid

: 307989-56-6
5-amino-2-(trifluoromethoxy)benzoic acid

Guidance literature:: palladium-carbon; In ethanol;

Reference yield:

: 461-82-5
4-(trifluoromethoxy)aniline

: 307989-56-6
5-amino-2-(trifluoromethoxy)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 99 percent / BuLi / tetrahydrofuran; hexane / -75 °C

2.1: N,N,N',N'',N''-pentamethyldiethylenetriamine; s-BuLi / tetrahydrofuran; hexane / -75 °C

2.2: 48 percent / hexane; tetrahydrofuran

With n-butyllithium; N,N,N',N'',N'''-pentamethyldiethylenetriamine; sec.-butyllithium; In tetrahydrofuran; hexane;
DOI:10.1021/jo0267798