Ethanone, 2-iodo-1-(4-nitrophenyl)-

Base Information

• Chemical Name: Ethanone, 2-iodo-1-(4-nitrophenyl)-
• CAS No.: 110944-98-4
• Molecular Formula: C8H6 I N O3
• Molecular Weight: 291.045
• DSSTox Substance ID: DTXSID60149424
• Nikkaji Number: J475.513H
• Wikidata: Q83015201
• Mol file: 110944-98-4.mol

Synonyms:Ethanone, 2-iodo-1-(4-nitrophenyl)-;110944-98-4;2-iodo-1-(4-nitrophenyl)ethanone;SCHEMBL14665190;DTXSID60149424

Chemical Property of Ethanone, 2-iodo-1-(4-nitrophenyl)-

Chemical Property:

• Vapor Pressure: 1.59E-05mmHg at 25°C
• Boiling Point: 365.3°C at 760 mmHg
• Flash Point: 174.7°C
• Density: 1.919g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 290.93924
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CI)[N+](=O)[O-]

Technology Process of Ethanone, 2-iodo-1-(4-nitrophenyl)-

There total 7 articles about Ethanone, 2-iodo-1-(4-nitrophenyl)- 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: 97.0%

(4-nitrophenyl)ethanone (100-19-6) → 2-iodo-1-(4-nitrophenyl)ethanone (110944-98-4)

Guidance literature:

With potassium iodate; sulfuric acid; potassium iodide; In acetic acid; for 52h; Ambient temperature;

DOI:10.1246/bcsj.65.1731

Reference yield: 93.0%

4-nitrostyrene (100-13-0) → 2-iodo-1-(4-nitrophenyl)ethanone (110944-98-4)

Guidance literature:

With iodoform; [bis(acetoxy)iodo]benzene; In 1,4-dioxane; at 20 ℃; Irradiation;

DOI:10.1016/j.cclet.2020.02.022

Reference yield: 91.0%

4-Nitrophenacyl bromide (99-81-0) → 2-iodo-1-(4-nitrophenyl)ethanone (110944-98-4)

Guidance literature:

With tetrabutylammomium bromide; sodium iodide; In water; at 20 ℃; for 0.5h;

DOI:10.1016/j.cclet.2010.10.009

upstream raw materials:

4-Nitrophenacyl bromide

(4-nitrophenyl)ethanone

4-nitrostyrene

methanol

Downstream raw materials:

2-hydroxy-1-(4-nitrophenyl)ethanone

2-chloro-1-(4-nitrophenyl)ethanone

2-benzoyl-4-(4-nitrophenyl)-1-phenylbut-2-ene-1,4-dione

N-(2-(4-nitrophenyl)-2-oxoacetyl)benzamide

Refernces

• 1、 Lee, Jong Chan,Bae, Yong Hun. "Efficient α-iodination of carbonyl compounds under solvent-free conditions using microwave irradiation". . p. 507 - 508. Retrieved 2003.
• 2、 Reddy, Marri Mahender,Swamy, Peraka,Naresh, Mameda,Srujana, Kodumuri,Durgaiah, Chevella,Rao, Tumula Venkateshwar,Narender, Nama. "One-pot synthesis of α-iodoketones from alcohols using ammonium iodide and Oxone in water". . p. 12186 - 12190. Retrieved 2015.
• 3、 Nakayama, Hiroki,Itoh, Akichika. "Facile synthesis of phenacyl iodides from styrenes under visible light irradiation with fluorescent lamps". . p. 1131 - 1133. Retrieved 2007.
• 4、 Olivato, Paulo Roberto,Guerrero, Sandra Alvarez,Rittner, Roberto. "Carbon-13 NMR Spectra of Some 4-Substituted Phenacyl Chlorides and Iodides". . p. 179 - 180. Retrieved 1987.
• 5、 Chalikidi, Petrakis N.,Nevolina, Tatyana A.,Uchuskin, Maxim G.,Abaev, Vladimir T.,Butin, Alexander V.. "A simple method for the synthesis of furfuryl ketones and furylacetic acid derivatives". . p. 621 - 629. Retrieved 2015/10/12.