3-iodo-5-Methylbenzonitrile

Base Information

• Chemical Name: 3-iodo-5-Methylbenzonitrile
• CAS No.: 52107-71-8
• Molecular Formula: C8H6IN
• Molecular Weight: 243.047
• Mol file: 52107-71-8.mol

Synonyms:3-iodo-5-Methylbenzonitrile

Chemical Property of 3-iodo-5-Methylbenzonitrile

Chemical Property:

• PSA: 23.79000
• LogP: 2.47128
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

3-Iodo-5-methylbenzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-iodo-5-Methylbenzonitrile

There total 4 articles about 3-iodo-5-Methylbenzonitrile 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: 72.0%

3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)-5-methylbenzonitrile → 3-iodo5-methylbenzonitrile (52107-71-8)

Guidance literature:

With Iodine monochloride; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere; Glovebox;

DOI:10.1021/ja511352u

Reference yield:

zinc(II) cyanide (557-21-1) + 2-(3-iodo-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1073339-01-1) → 3-iodo5-methylbenzonitrile (52107-71-8)

Guidance literature:

With copper(II) nitrate trihydrate; cesium fluoride; In methanol; water; at 100 ℃; for 4h;

DOI:10.1021/ja104442v

Reference yield:

3-Methylbenzonitrile (620-22-4) → 3-iodo5-methylbenzonitrile (52107-71-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 2-methyl-1,10-phenanthroline / tetrahydrofuran / 16 h / 80 °C / Inert atmosphere; Glovebox

2: Iodine monochloride / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere; Glovebox

With 2-methyl-1,10-phenanthroline; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; Iodine monochloride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/ja511352u

upstream raw materials:

3-amino-5-methylbenzonitrile

zinc(II) cyanide

2-(3-iodo-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3-Methylbenzonitrile

Refernces

• 1、 -. "INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES". Paragraph 00188. . Retrieved 2015/03/28.