Benzonitrile,4-iodo-3-nitro-

Base Information

• Chemical Name: Benzonitrile,4-iodo-3-nitro-
• CAS No.: 101420-79-5
• Molecular Formula: C7H3IN2O2
• Molecular Weight: 274.018
• Hs Code.: 2926907090
• Mol file: 101420-79-5.mol

Synonyms:1-Cyano-3-nitro-4-iodobenzene;

Chemical Property of Benzonitrile,4-iodo-3-nitro-

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0.000163mmHg at 25°C
• Melting Point: 132-133 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.687
• Boiling Point: 330.7 °C at 760 mmHg
• Flash Point: 153.8 °C
• PSA: 69.61000
• Density: 2.07 g/cm³
• LogP: 2.59428

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Iodo-3-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Iodo-3-nitrobenzonitrile is studied for its potential use as an antitumor agent.

Technology Process of Benzonitrile,4-iodo-3-nitro-

There total 2 articles about Benzonitrile,4-iodo-3-nitro- 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: 67.0%

4-iodobenzonitrile (3058-39-7) → 4-iodo-3-nitrobenzonitrile (101420-79-5)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃; for 5h;

DOI:10.1021/jo048132o

Reference yield: 44.0%

4-Amino 3-nitro-benzonitrile (6393-40-4) → 4-iodo-3-nitrobenzonitrile (101420-79-5)

Guidance literature:

With n-Amyl nitrite; iodine; In benzene; Inert atmosphere;

DOI:10.1021/jacs.9b08794

Reference yield: 94.0%

4-iodo-3-nitrobenzonitrile (101420-79-5) + benzaldehyde (100-52-7) → 4-[hydroxy(phenyl)methyl]-3-nitrobenzonitrile

Guidance literature:

4-iodo-3-nitrobenzonitrile; With phenylmagnesium chloride; In tetrahydrofuran; at -40 ℃; for 0.25h;

benzaldehyde; In tetrahydrofuran; at -40 - 20 ℃;

DOI:10.1021/jo048132o

upstream raw materials:

4-iodobenzonitrile

4-Amino 3-nitro-benzonitrile

Downstream raw materials:

2-(4-cyano-2-nitrophenylmethyl)benzoic Acid Methyl Ester

C₉H₄F₃IN₂O

C₂₇H₂₄F₆N₂O₅S

3-amino-4-iodobenzonitrile

Refernces

• 1、 Tseng, Chih-Chung,Baillie, Gemma,Donvito, Giulia,Mustafa, Mohammed A.,Juola, Sophie E.,Zanato, Chiara,Massarenti, Chiara,Dall'Angelo, Sergio,Harrison, William T. A.,Lichtman, Aron H.,Ross, Ruth A.,Zanda, Matteo,Greig, Iain R.. "The Trifluoromethyl Group as a Bioisosteric Replacement of the Aliphatic Nitro Group in CB1 Receptor Positive Allosteric Modulators". supporting information. p. 5049 - 5062. Retrieved 2019/05/28.
• 2、 Sapountzis, Ioannis,Dube, Henry,Lewis, Robert,Gommermann, Nina,Knochel, Paul. "Synthesis of functionalized nitroarylmagnesium halides via an iodine-magnesium exchange". . p. 2445 - 2454. Retrieved 2007/10/03.