(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester

Base Information

• Chemical Name: (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
• CAS No.: 2445-85-4
• Molecular Formula: C11H12 F3 N O2
• Molecular Weight: 247.217
• NSC Number: 190359
• DSSTox Substance ID: DTXSID20307205
• Wikidata: Q82054575
• Mol file: 2445-85-4.mol

Synonyms:2445-85-4;(4-trifluoromethyl-phenylamino)-acetic acid ethyl ester;Ethyl 2-((4-(trifluoromethyl)phenyl)amino)acetate;ethyl 2-[4-(trifluoromethyl)anilino]acetate;N-(4-Trifluoromethylphenyl)glycine ethyl ester;NSC190359;Maybridge1_007546;Glycine,N-[4-(trifluoromethyl)phenyl]-, ethyl ester;SCHEMBL5348265;HMS562O22;DTXSID20307205;CCG-53498;AKOS000256703;NSC-190359;SB77270;Ethyl (4-(trifluoromethyl)phenyl)glycinate;BB 0241502;CS-0449987;F79069;Ethyl2-((4-(trifluoromethyl)phenyl)amino)acetate;SR-01000642660-1;(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester

Chemical Property of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.00317mmHg at 25°C
• Boiling Point: 283.4°Cat760mmHg
• Flash Point: 125.2°C
• Density: 1.265g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 247.08201311
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC1=CC=C(C=C1)C(F)(F)F

Technology Process of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester

There total 3 articles about (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester 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: 96.0%

diazoacetic acid ethyl ester (623-73-4) + 4-trifluoromethylphenylamine (455-14-1) → ethyl 2-((4-(trifluoromethyl)phenyl)amino)acetate (2445-85-4)

Guidance literature:

With meso-tetraphenylporphyrin iron(III) chloride; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c6dt03678c

Reference yield: 61.0%

4-trifluoromethylphenylamine (455-14-1) + ethyl bromoacetate (105-36-2) → ethyl 2-((4-(trifluoromethyl)phenyl)amino)acetate (2445-85-4)

Guidance literature:

With sodium acetate; In ethanol; at 85 - 90 ℃;

DOI:10.1021/jo4007199

Reference yield:

→ ethyl 2-((4-(trifluoromethyl)phenyl)amino)acetate (2445-85-4)

Guidance literature:

4-Triflourmethyl-anilin, Chloressigsaeure-ethylester, Na-Acetat-trihydrat, A., Siedetemp.;

DOI:10.1021/jm00327a036

upstream raw materials:

diazoacetic acid ethyl ester

4-trifluoromethylphenylamine

ethyl bromoacetate

Downstream raw materials:

C₁₁H₁₀F₃NO₂

diethyl 6-(trifluoromethyl)-3-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinazoline-2,4-dicarboxylate

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