4-Fluoroacetanilide

Base Information

• Chemical Name: 4-Fluoroacetanilide
• CAS No.: 351-83-7
• Molecular Formula: C8H8 F N O
• Molecular Weight: 153.156
• Hs Code.: 29242990
• European Community (EC) Number: 206-515-9
• NSC Number: 10349
• UNII: 55Y67URK6W
• DSSTox Substance ID: DTXSID40188598
• Nikkaji Number: J154.039D
• Wikidata: Q72478993
• ChEMBL ID: CHEMBL125099
• Mol file: 351-83-7.mol

Synonyms:4-fluoroacetanilide;N-(4-fluorophenyl)acetamide;N-p-fluorophenylacetamide

Chemical Property of 4-Fluoroacetanilide

Chemical Property:

• Appearance/Colour: Off-white powder.
• Melting Point: 153-155 ºC
• Boiling Point: 300.6±25.0 °C(Predicted)
• PKA: 14.10±0.70(Predicted)
• PSA: 29.10000
• Density: 1.1655 (estimate)
• LogP: 1.85710
• Solubility.: soluble in Methanol
• Water Solubility.: practically insoluble
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.058992041
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

4''-Fluoroacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)F

Technology Process of 4-Fluoroacetanilide

There total 68 articles about 4-Fluoroacetanilide 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: 100.0%

acetic anhydride (108-24-7) + 4-fluoroaniline (371-40-4) → 4'-fluoroacetanilide (351-83-7)

Guidance literature:

In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/C6CC08788D

Reference yield: 94.0%

acetylacetone (123-54-6,81235-32-7) + 4-fluoroaniline (371-40-4) → 4'-fluoroacetanilide (351-83-7)

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; for 8h; Green chemistry;

DOI:10.1039/c3gc41260a

Reference yield: 93.0%

acetyl chloride (75-36-5) + 4-fluoroaniline (371-40-4) → 4'-fluoroacetanilide (351-83-7)

Guidance literature:

With hydroxyapatite supported copper(I) oxide; In acetonitrile; at 50 ℃; for 0.1h;

DOI:10.1007/s13738-015-0730-9

upstream raw materials:

2-Fluoroaniline

4-acetamido-benzenediazonium cation

acetic anhydride

4-Fluoronitrobenzene

Downstream raw materials:

5-Amino-2-fluorbenzolsulfonsaeure

heptanoic acid (4-fluoro-phenyl)-amide

4-Methylacetanilide

N,N-diethyl-4-methoxyaniline

Refernces

• 1、 -. "Synthesis method of o-bromo-p-fluoroacetyl aniline". . . Retrieved 2022/04/03.
• 2、 Chakraborty, Subhayan,Peruncheralathan,Ghosh, Arindam. "Paracetamol and other acetanilide analogs as inter-molecular hydrogen bonding assisted diamagnetic CEST MRI contrast agents". . p. 6526 - 6534. Retrieved 2021/02/21.