N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide

Base Information

• Chemical Name: N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide
• CAS No.: 457-53-4
• Molecular Formula: C10H10F3NO2
• Molecular Weight: 233.1871
• DSSTox Substance ID: DTXSID20963426
• Nikkaji Number: J2.696.309E
• Wikidata: Q82945281
• Mol file: 457-53-4.mol

Synonyms:N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide;Acetamide, N-(4-ethoxyphenyl)-2,2,2-trifluoro-;BRN 2976383;457-53-4;2,2,2-Trifluoro-p-acetophenetidide;p-ACETOPHENETIDIDE, 2,2,2-TRIFLUORO-;N-trifluoroacetyl-p-phenetidine;DTXSID20963426;SPQLXRCPBSSJCE-UHFFFAOYSA-N;N-(Trifluoroacetyl)-4-ethoxyaniline;STK412309;AKOS000511628

Chemical Property of N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide

Chemical Property:

• Vapor Pressure: 0.000883mmHg at 25°C
• Boiling Point: 304.3°Cat760mmHg
• Flash Point: 137.8°C
• PSA: 38.33000
• Density: 1.299g/cm³
• LogP: 2.65910
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 233.06636305
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)C(F)(F)F

Technology Process of N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide

There total 4 articles about N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide 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: 98.0%

pyridinium trifluroacetate (464-05-1) + 4-Ethoxyaniline (156-43-4) → N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide (457-53-4)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 2h; Reflux;

DOI:10.1016/j.tetlet.2009.01.088

Reference yield: 70.0%

4-Ethoxyaniline (156-43-4) + trifluoroacetic anhydride (407-25-0) → N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide (457-53-4)

Guidance literature:

In N,N-dimethyl-formamide; for 48h; Ambient temperature;

Reference yield: 23.0%

C16H19N3O (1228956-88-4) + trifluoroacetic anhydride (407-25-0) → N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide (457-53-4)

Guidance literature:

In dichloromethane; at -5 ℃; for 1h;

DOI:10.1016/j.mencom.2011.01.015

upstream raw materials:

4-Ethoxyaniline

trifluoroacetic anhydride

pyridinium trifluroacetate

C₁₆H₁₉N₃O

Refernces

• 1、 Ohtaka, Junpei,Sakamoto, Takeshi,Kikugawa, Yasuo. "A one-pot procedure for trifluoroacetylation of arylamines using trifluoroacetic acid as a trifluoroacetylating reagent". experimental part. p. 1681 - 1683. Retrieved 2009/09/05.