4-Iodoanisole

Base Information

• Chemical Name: 4-Iodoanisole
• CAS No.: 696-62-8
• Molecular Formula: C7H7IO
• Molecular Weight: 234.036
• Hs Code.: 29093090
• European Community (EC) Number: 211-798-7
• NSC Number: 60727
• DSSTox Substance ID: DTXSID7061015
• Nikkaji Number: J93.739H
• Wikidata: Q72483331
• Mol file: 696-62-8.mol

Synonyms:Anisole,4-iodo- (6CI);Anisole, p-iodo- (7CI,8CI);4-Iodomethoxybenzene;4-Iodophenyl methyl ether;4-Methoxy-1-iodobenzene;4-Methoxyiodobenzene;4-Methoxyphenyl iodide;Isoform;NSC 60727;p-Iodoanisole;p-Iodomethoxybenzene;p-Iodophenyl methyl ether;p-Methoxyiodobenzene;p-Methoxyphenyl iodide;

Chemical Property of 4-Iodoanisole

Chemical Property:

• Appearance/Colour: off-white to brown crystalline powder and chunks
• Vapor Pressure: 0.0635mmHg at 25°C
• Melting Point: 50-53 °C(lit.)
• Refractive Index: 1.591
• Boiling Point: 239 °C at 760 mmHg
• Flash Point: 95.1 °C
• PSA: 9.23000
• Density: 1.727 g/cm³
• LogP: 2.29980
• Storage Temp.: -20°C
• Sensitive.: Light Sensitive
• Solubility.: Soluble in ethanol, ether, chloroform.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 233.95416
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

≥98% ^*data from raw suppliers

4-Iodoanisole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Anisoles
• Canonical SMILES: COC1=CC=C(C=C1)I
• Description: 4-Iodoanisole (chemical formula: C7H7IO) is an organic compound being soluble in ethanol, ether and chloroform. It has a wide range of medicals industrial applications. For example, it can be used as human and animal nutrition products, antiseptics, disinfectants, pharmaceutical intermediates, polarizing films for liquid crystal display (LCD) chemicals. Its iodine derivatives can also be used as organic building blocks and analytic reagents.
• Uses: 4-Iodoanisole is used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals. Iodine derivatives are also used as organic building blocks, analytical reagents.

Technology Process of 4-Iodoanisole

There total 205 articles about 4-Iodoanisole 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: 98.0%

potassium 4-(methoxy)phenyltrifluoroborate → para-iodoanisole (696-62-8)

Guidance literature:

With caesium tribromide; In water; N,N-dimethyl-formamide; at 80 ℃; for 6h; chemoselective reaction;

DOI:10.1016/j.tet.2012.03.016

Reference yield: 98.0%

1-((4-methoxyphenyl)diazenyl)pyrrolidine (36651-93-1) → para-iodoanisole (696-62-8)

Guidance literature:

With iodine; In various solvent(s); at 80 ℃; for 4h;

DOI:10.1016/S0040-4039(00)77241-8

Reference yield: 96.0%

methoxybenzene (100-66-3) → 4-iodoanisol (529-28-2) + para-iodoanisole (696-62-8)

Guidance literature:

With Oxone; potassium iodide; In methanol; at 20 ℃; for 24h;

DOI:10.1081/SCC-120006002

upstream raw materials:

1-iodosyl-4-methoxybenzene

bis(p-anisyl)mercury

4-methoxy-aniline

1-iodo-2,4-dimethoxybenzene

Downstream raw materials:

Pentachloroanisole

bis(4-methoxyphenyl)sulfide

1-methoxy-2-[(4-methoxyphenyl)thio]benzene

N,N-dimethyl-N'-(4-methoxyphenyl)-1,4-phenylendiamine

Refernces

A Newly Designed Carbohydrate-Derived Alkylamine Promotes Ullmann Type C-N Coupling Catalyzed by Copper in Water

10.1055/s-0037-1611695

The research aimed to develop a green and biodegradable carbohydrate-derived alkylamine ligand for copper-catalyzed Ullmann type C–N coupling reactions in water, offering an environmentally friendly alternative to traditional organic solvents. The study successfully demonstrated that this ligand could promote the coupling of aryl iodides and N-nucleophiles, yielding moderate to excellent results. The methodology was found to be environmentally friendly and economical due to the use of aqueous media instead of organic solvents. The research concluded that the carbohydrate-derived alkylamine not only chelated copper but also enhanced the solubility of 4-iodoanisole in water, making the Ullmann C–N coupling more efficient in an aqueous environment.