Methyl 2-amino-3-[[4-(trifluoromethyl)benzoyl]amino]benzoate

Base Information

Chemical Name:Methyl 2-amino-3-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CAS No.:188106-96-9
Molecular Formula:C₁₆H₁₃F₃N₂O₃
Molecular Weight:338.286
Hs Code.:
DSSTox Substance ID:DTXSID901184422
ChEMBL ID:CHEMBL334783

Synonyms:CHEMBL334783;SCHEMBL7323880;DTXSID901184422;Methyl 2-amino-3-[[4-(trifluoromethyl)benzoyl]amino]benzoate;188106-96-9

Suppliers and Price of Methyl 2-amino-3-[[4-(trifluoromethyl)benzoyl]amino]benzoate

Supply Marketing:

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

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Chemical Property of Methyl 2-amino-3-[[4-(trifluoromethyl)benzoyl]amino]benzoate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:338.08782677
Heavy Atom Count:24
Complexity:462

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Methyl 2-amino-3-[[4-(trifluoromethyl)benzoyl]amino]benzoate

There total 4 articles about Methyl 2-amino-3-[[4-(trifluoromethyl)benzoyl]amino]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: 14.0%

: 329-15-7
4-trifluoromethyl-phenyl acetyl chloride

: 107582-20-7
2,3-diaminobenzoic acid methyl ester

: 188106-96-9
Methyl 2-amino-3-N-(4'-trifluoromethylbenzoyl)aminobenzoate

Guidance literature:: With dmap; triethylamine; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1021/jm000950v

Reference yield:

: 57113-91-4
methyl 3-nitroanthranilate

: 188106-96-9
Methyl 2-amino-3-N-(4'-trifluoromethylbenzoyl)aminobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / H₂ / 10percent Pd/C / methanol / 760.05 Torr

2: 14 percent / Et₃N; DMAP / tetrahydrofuran / 0 - 20 °C

With dmap; hydrogen; triethylamine; 10percent Pd/C; In tetrahydrofuran; methanol;
DOI:10.1021/jm000950v

Reference yield:

: 606-18-8
3-nitroanthranilic acid

: 188106-96-9
Methyl 2-amino-3-N-(4'-trifluoromethylbenzoyl)aminobenzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 60 percent / HCl(g) / 6 h / Heating

2: 94 percent / H₂ / 10percent Pd/C / methanol / 760.05 Torr

3: 14 percent / Et₃N; DMAP / tetrahydrofuran / 0 - 20 °C

With hydrogenchloride; dmap; hydrogen; triethylamine; 10percent Pd/C; In tetrahydrofuran; methanol;
DOI:10.1021/jm000950v