Ethyl 4-[(trifluoroacetyl)amino]benzoate

Base Information

• Chemical Name: Ethyl 4-[(trifluoroacetyl)amino]benzoate
• CAS No.: 24568-14-7
• Molecular Formula: C11H10 F3 N O3
• Molecular Weight: 261.201
• NSC Number: 95125
• DSSTox Substance ID: DTXSID10294195
• Nikkaji Number: J1.105.106E
• Wikidata: Q82033340
• Mol file: 24568-14-7.mol

Synonyms:ethyl 4-[(trifluoroacetyl)amino]benzoate;24568-14-7;ethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate;benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester;ETHYL 4-(2,2,2-TRIFLUOROACETAMIDO)BENZOATE;NSC95125;starbld0016152;NCIOpen2_006481;SCHEMBL1542395;DTXSID10294195;NSC 95125;NSC-95125;STK413009;AKOS003235335;CS-0323890;4-(Trifluoroacetylamino)benzoic acid ethyl ester;ethyl 4-(2,2,2-trifluoro-acetylamino)-benzoate;AF-399/33718044;SR-01000203334;SR-01000203334-1

Chemical Property of Ethyl 4-[(trifluoroacetyl)amino]benzoate

Chemical Property:

• Vapor Pressure: 7.89E-05mmHg at 25°C
• Boiling Point: 341.7°Cat760mmHg
• Flash Point: 160.5°C
• Density: 1.351g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 261.06127767
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-[(trifluoroacetyl)amino]benzoate

There total 5 articles about Ethyl 4-[(trifluoroacetyl)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: 99.0%

p-aminoethylbenzoate (94-09-7) + trifluoroacetic anhydride (407-25-0) → ethyl 4-(2,2,2-trifluoroacetylamino)benzoate (24568-14-7)

Guidance literature:

With triethylamine; In dichloromethane; at 23 ℃; for 12h; Sealed tube;

DOI:10.1002/anie.202009490

Reference yield: 88.0%

p-aminoethylbenzoate (94-09-7) + trifluoroacetic acid (76-05-1) → ethyl 4-(2,2,2-trifluoroacetylamino)benzoate (24568-14-7)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 2.5h; Reflux;

DOI:10.1016/j.tetlet.2009.01.088

Reference yield: 86.0%

p-aminoethylbenzoate (94-09-7) + GENERIC INORGANIC CATION; trifluoro-acetate → ethyl 4-(2,2,2-trifluoroacetylamino)benzoate (24568-14-7)

Guidance literature:

for 0.25h; Irradiation;

DOI:10.1039/a807426g

upstream raw materials:

p-aminoethylbenzoate

2,2,2-trifluoroacetamide

4-iodobenzoic acid ethyl ester

trifluoroacetic acid

Downstream raw materials:

4-((E)-2-Ethoxycarbonyl-1-trifluoromethyl-vinylamino)-benzoic acid ethyl ester

2-[2-Oxo-2-(p-trifluoroacetamidophenyl)ethyl]-3-o-tolyl-4(3H)-quinazolinone

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