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

Base Information

• Chemical Name: N-(4-Acetyl-2-fluorophenyl)acetamide
• CAS No.: 85117-88-0
• Molecular Formula: C10H10FNO2
• Molecular Weight: 195.193
• Hs Code.: 2924299090
• European Community (EC) Number: 285-639-5
• DSSTox Substance ID: DTXSID10234233
• Nikkaji Number: J309.738B
• Wikidata: Q83115980
• Mol file: 85117-88-0.mol

Synonyms:N-(4-Acetyl-2-fluorophenyl)acetamide;85117-88-0;EINECS 285-639-5;n-(4-acetyl-2-fluoro-phenyl)-acetamide;SCHEMBL6106476;DTXSID10234233;VTSRUHHYVDPFBT-UHFFFAOYSA-N;N-(4-ethanoyl-2-fluoranyl-phenyl)ethanamide;A841216

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

Chemical Property:

• Vapor Pressure: 6.33E-06mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 378.3 °C at 760 mmHg
• Flash Point: 182.6 °C
• PSA: 49.66000
• Density: 1.233 g/cm³
• LogP: 2.63620
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 195.06955672
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 7 articles about N-(4-Acetyl-2-fluorophenyl)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: 32.0%

methylmagnesium bromide (75-16-1) + 4-acetylamino-3-fluoro-benzaldehyde (97760-95-7) → 4'-acetylamino-3'-fluoro-acetophenone (85117-88-0)

Guidance literature:

methylmagnesium bromide; 4-acetylamino-3-fluoro-benzaldehyde; In tetrahydrofuran; at 60 ℃;

With chromium(VI) oxide; sulfuric acid; In water; acetone; at 21 ℃; for 0.25h;

Reference yield:

1-(4-acetylamino-3-fluoro-phenyl)-ethanol → 4'-acetylamino-3'-fluoro-acetophenone (85117-88-0)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In water; acetone; Yield given;

Reference yield:

2-Fluoroaniline (348-54-9) → 4'-acetylamino-3'-fluoro-acetophenone (85117-88-0)

Guidance literature:

Multi-step reaction with 6 steps

1: 76 percent / I₂, NaHCO₃ / H₂O / 3 h / 60 °C

2: 88 percent / pyridine / CHCl₃ / 1.) room temp., 0.5 h, 2.) 50-60 deg C, 2 h

3: 64 percent / hexamethylphosphoric acid triamide / 3 h / 150 °C

4: 95 percent / SnCl₂, HCl / diethyl ether; CH₂Cl₂ / 2 h

5: 1.) Mg / 1.) diethyl ether, 30 min, 2.) THF, diethyl ether, overnight, reflux

6: CrO₃, conc. H₂SO₄ / acetone; H₂O

With pyridine; chromium(VI) oxide; hydrogenchloride; sulfuric acid; iodine; sodium hydrogencarbonate; magnesium; tin(ll) chloride; In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; dichloromethane; chloroform; water; acetone;

upstream raw materials:

2-Fluoroaniline

2-fluro-4-iodoaniline

N-(2-fluoro-4-iodo-phenyl)-acetamide

4-acetylamino-3-fluoro-benzonitrile

Downstream raw materials:

1-(4-amino-3-fluorophenyl)ethanone

1-(4-Amino-3-fluoro-phenyl)-2-ethylamino-ethanol

4'-amino-3'-cyano-5'-fluoro-acetophenone

1-(4-Amino-3-chloro-5-fluoro-phenyl)-2-ethylamino-ethanone

Refernces

• 1、 Kruger,Keck,Noll,Pieper. "Synthesis of further amino-halogen-substituted phenyl-aminoethanols". . p. 1612 - 1624. Retrieved 2007/10/02.