1-(4-Amino-3-fluoro-5-iodophenyl)ethan-1-one

Base Information

• Chemical Name: 1-(4-Amino-3-fluoro-5-iodophenyl)ethan-1-one
• CAS No.: 84731-71-5
• Molecular Formula: C8H7FINO
• Molecular Weight: 279.053
• Hs Code.: 2922399090
• European Community (EC) Number: 283-830-8
• DSSTox Substance ID: DTXSID20233752
• Nikkaji Number: J309.121J
• Wikidata: Q83115397
• Mol file: 84731-71-5.mol

Synonyms:1-(4-Amino-3-fluoro-5-iodophenyl)ethan-1-one;84731-71-5;1-(4-amino-3-fluoro-5-iodophenyl)ethanone;EINECS 283-830-8;SCHEMBL2946706;C8-H7-F-I-N-O;DTXSID20233752;34-PROPYLENEDIOXYTHIOPHENE97

Chemical Property of 1-(4-Amino-3-fluoro-5-iodophenyl)ethan-1-one

Chemical Property:

• Vapor Pressure: 4.03E-05mmHg at 25°C
• Boiling Point: 351.7°C at 760 mmHg
• Flash Point: 166.5°C
• PSA: 43.09000
• Density: 1.866g/cm³
• LogP: 2.79630
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 278.95564
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Amino-3-fluoro-5-iodo-phenyl)-ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Amino-3-fluoro-5-iodophenyl)ethan-1-one

There total 8 articles about 1-(4-Amino-3-fluoro-5-iodophenyl)ethan-1-one 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: 64.43%

1-(4-amino-3-fluorophenyl)ethanone (73792-22-0) → 4'-amino-3'-fluoro-5'-iodo-acetophenone (84731-71-5)

Guidance literature:

With iodine; mercury(II) oxide; In acetic acid; for 1h; Ambient temperature;

Reference yield:

2-Fluoroaniline (348-54-9) → 4'-amino-3'-fluoro-5'-iodo-acetophenone (84731-71-5)

Guidance literature:

Multi-step reaction with 8 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

7: 85 percent / conc. HCl / H₂O / 1 h / Heating

8: 64.4 percent / I₂, HgO / acetic acid / 1 h / Ambient temperature

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

Reference yield:

2-fluro-4-iodoaniline (29632-74-4) → 4'-amino-3'-fluoro-5'-iodo-acetophenone (84731-71-5)

Guidance literature:

Multi-step reaction with 7 steps

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

2: 64 percent / hexamethylphosphoric acid triamide / 3 h / 150 °C

3: 95 percent / SnCl₂, HCl / diethyl ether; CH₂Cl₂ / 2 h

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

5: CrO₃, conc. H₂SO₄ / acetone; H₂O

6: 85 percent / conc. HCl / H₂O / 1 h / Heating

7: 64.4 percent / I₂, HgO / acetic acid / 1 h / Ambient temperature

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

upstream raw materials:

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

2-Fluoroaniline

2-fluro-4-iodoaniline

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

Downstream raw materials:

4'-amino-2-tert-butylamino-3'-fluoro-5'-iodo-acetophenone

1-(4'-Amino-3'-fluoro-5'-iodo-phenyl)-2-tert-butylamino-ethanol

2-Amino-5-(2-ethylamino-acetyl)-3-fluoro-benzonitrile

4'-amino-2-cyclobutylamino-3'-fluoro-5'-iodo-acetophenone