Ethyl 2-amino-5-(trifluoromethyl)benzoate

Base Information

Chemical Name:Ethyl 2-amino-5-(trifluoromethyl)benzoate
CAS No.:1108668-05-8
Molecular Formula:C₁₀H₁₀F₃NO₂
Molecular Weight:233.19
Hs Code.:
DSSTox Substance ID:DTXSID901272805
Mol file:1108668-05-8.mol

Synonyms:ethyl 2-amino-5-(trifluoromethyl)benzoate;1108668-05-8;2-amino-5-trifluoromethyl-benzoic acid ethyl ester;SCHEMBL2403072;DTXSID901272805;AKOS015155427;SB80613;ethyl2-amino-5-(trifluoromethyl)benzoate;CS-0127873;EN300-6511112;A929849

Suppliers and Price of Ethyl 2-amino-5-(trifluoromethyl)benzoate

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
Ethyl2-amino-5-(trifluoromethyl)benzoate 97%
25g
$ 606.00

Crysdot
Ethyl2-amino-5-(trifluoromethyl)benzoate 97%
10g
$ 372.00

Crysdot
Ethyl2-amino-5-(trifluoromethyl)benzoate 97%
5g
$ 326.00

Chemcia Scientific
2-Amino-5-trifluoromethyl-benzoicacidethylester 95%
1 G
$ 150.00

Total 2 raw suppliers

Chemical Property of Ethyl 2-amino-5-(trifluoromethyl)benzoate

Chemical Property:

Boiling Point:282.5±40.0 °C(Predicted)
PKA:1.24±0.10(Predicted)
Density:1.298±0.06 g/cm3(Predicted)
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:233.06636305
Heavy Atom Count:16
Complexity:255

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-amino-5-(trifluoromethyl)benzoate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=C(C=CC(=C1)C(F)(F)F)N

Technology Process of Ethyl 2-amino-5-(trifluoromethyl)benzoate

There total 3 articles about Ethyl 2-amino-5-(trifluoromethyl)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: 41.0%

: 64-17-5
ethanol

: 141940-29-6
2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)benzoic acid

: 1108668-05-8
2-amino-5-trifluoromethylbenzoic acid ethyl ester

Guidance literature:: ethanol; 2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)benzoic acid; With sulfuric acid; at 100 ℃; for 16h;

With water; pH=6;

Reference yield: 35.0%

: 64-17-5
ethanol

: 83265-53-6
2-amino-5-(trifluoromethyl)benzoic acid

: 1108668-05-8
2-amino-5-trifluoromethylbenzoic acid ethyl ester

Guidance literature:: With sulfuric acid; at 80 ℃;

Reference yield:

: 455-14-1
4-trifluoromethylphenylamine

: 1108668-05-8
2-amino-5-trifluoromethylbenzoic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydroxide / tetrahydrofuran; water / 36 h / 20 °C

2.1: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / hexanes; diethyl ether / 2.33 h / -78 - -10 °C

2.2: 1 h / -78 °C

3.1: sulfuric acid / 16 h / 100 °C

3.2: pH 6

With sodium hydroxide; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; sulfuric acid; In tetrahydrofuran; hexanes; diethyl ether; water;