4-Iodotoluene

Base Information

• Chemical Name: 4-Iodotoluene
• CAS No.: 624-31-7
• Molecular Formula: C7H7I
• Molecular Weight: 218.037
• Hs Code.: 29036990
• European Community (EC) Number: 210-841-7
• NSC Number: 3776
• UNII: G75KCN1AM8
• DSSTox Substance ID: DTXSID4060785
• Nikkaji Number: J43.527I
• Wikidata: Q27278877
• Mol file: 624-31-7.mol

Synonyms:3-iodotoluene;m-iodotoluene;meta-iodotoluene;o-iodotoluene;p-iodotoluene

Chemical Property of 4-Iodotoluene

Chemical Property:

• Appearance/Colour: white to light yellow crystalline low melting mass
• Vapor Pressure: 0.264mmHg at 25°C
• Melting Point: 33-36 °C
• Refractive Index: 1.604
• Boiling Point: 211.5 °C at 760 mmHg
• Flash Point: 86.3 °C
• PSA: 0.00000
• Density: 1.706 g/cm³
• LogP: 2.59960
• Storage Temp.: Store below +30°C.
• Sensitive.: Light Sensitive
• Solubility.: Solubility in methanol is almost transparent.
• Water Solubility.: insoluble
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 217.95925
• Heavy Atom Count: 8
• Complexity: 62.8

Purity/Quality:

99% ^*data from raw suppliers

4-Iodotoluene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: CC1=CC=C(C=C1)I
• Uses: suzuki reaction 4-Iodotoluene is used in wide range of medicals industrial applications as well as in pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.

Technology Process of 4-Iodotoluene

There total 151 articles about 4-Iodotoluene 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: 70.0%

toluene (108-88-3,15644-74-3,16713-13-6) → ortho-methylphenyl iodide (615-37-2) + 4-tolyl iodide (624-31-7)

Guidance literature:

With iodine; lithium perchlorate; In various solvent(s); Ambient temperature; anodic oxidation;

DOI:10.1016/S0040-4039(00)99543-1

Reference yield: 54.0%

lithium 2-nitropropane (3958-63-2) + (p-methylphenyl)phenyliodonium bromide (2665-60-3) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + iodobenzene (591-50-4) + (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 4-tolyl iodide (624-31-7)

Guidance literature:

In methanol; at 30 ℃; for 48h; Further byproducts given;

DOI:10.1016/S0040-4039(00)85837-2

Reference yield: 54.0%

lithium 2-nitropropane (3958-63-2) + (p-methylphenyl)phenyliodonium bromide (2665-60-3) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + iodobenzene (591-50-4) + 2,3-dimethyl-2,3-dinitrobutane (3964-18-9) + 4-tolyl iodide (624-31-7)

Guidance literature:

In methanol; at 30 ℃; for 48h; Further byproducts given;

DOI:10.1016/S0040-4039(00)85837-2

upstream raw materials:

4-methylbenzene diazonium

diethyl ether

4-iodoxy-toluene

ethylmagnesium bromide

Downstream raw materials:

4-iodoxy-toluene

2-(phenyl(p-tolyl)amino)benzoic acid

p-cresol

3-methyl-phenol

Refernces

• 1、 Boehm, Philip,Cacherat, Bastien,Lee, Yong Ho,Martini, Tristano,Morandi, Bill. "Palladium-Catalyzed Decarbonylative Iodination of Aryl Carboxylic Acids Enabled by Ligand-Assisted Halide Exchange". supporting information. p. 17211 - 17217. Retrieved 2021/07/02.
• 2、 Bao, Yan-Sai,Cui, Xin-Yu,Han, Zheng-Bo,Li, Xin,Tang, Hong,Yang, Ming,Zhang, Yu-Yang,Zhao, Kun,Zhou, Mei-Li. "Synthesis of biaryl compounds via Suzuki homocoupling reactions catalyzed by metal organic frameworks encapsulated with palladium nanoparticles". . . Retrieved 2020/12/17.