N-(4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide

Base Information

• Chemical Name: N-(4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
• CAS No.: 131179-72-1
• Molecular Formula: C₁₄H₁₂FNO₂
• Molecular Weight: 245.253
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40382413
• Wikidata: Q82173765
• Mol file: 131179-72-1.mol

Synonyms:N-(4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide;131179-72-1;Oprea1_114477;DTXSID40382413;MFCD03425776;AKOS005070477;CS-0444336;FT-0680393;4T-0267;A806214;J-523056

Chemical Property of N-(4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide

Chemical Property:

• Vapor Pressure: 3.77E-10mmHg at 25°C
• Melting Point: 139-141°C
• Boiling Point: 488.1°Cat760mmHg
• Flash Point: 249°C
• PSA: 49.33000
• Density: 1.319g/cm³
• LogP: 2.78550
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.08520679
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Fluorophenyl)-2-(4-hydroxyphenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)F)O

Technology Process of N-(4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide

There total 1 articles about N-(4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide 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:

4-hydroxyphenylacetate (156-38-7) + 4-fluoroaniline (371-40-4) → 4-<<(4-fluoroanilino)carbonyl>methyl>phenol (131179-72-1)

Guidance literature:

With thionyl chloride; Yield given. Multistep reaction; 1.) reflux, 30 min, 2.) xylene, reflux, 3 h;

DOI:10.1021/jm00106a041

Reference yield: 45.0%

chloroform (67-66-3,8013-54-5) + 4-<<(4-fluoroanilino)carbonyl>methyl>phenol (131179-72-1) + acetone (67-64-1) → 2-<4-<<(4-fluoroanilino)carbonyl>methyl>phenoxy>-2-methylpropionic acid (131179-90-3)

Guidance literature:

With sodium hydroxide; for 12h; Ambient temperature;

DOI:10.1021/jm00106a041

upstream raw materials:

4-hydroxyphenylacetate

4-fluoroaniline

Downstream raw materials:

2-<4-<<(4-fluoroanilino)carbonyl>methyl>phenoxy>-2-methylpropionic acid