2-Iodoisophthalonitrile

Base Information

• Chemical Name: 2-Iodoisophthalonitrile
• CAS No.: 81725-16-8
• Molecular Formula: C₈H₃IN₂
• Molecular Weight: 254.03
• European Community (EC) Number: 839-512-1
• Nikkaji Number: J2.546.221A
• Mol file: 81725-16-8.mol

Synonyms:2-Iodoisophthalonitrile;81725-16-8;2-iodobenzene-1,3-dicarbonitrile;SCHEMBL3236721;EN300-3250556;Z1416189734

Chemical Property of 2-Iodoisophthalonitrile

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 253.93410
• Heavy Atom Count: 11
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)C#N)I)C#N

Technology Process of 2-Iodoisophthalonitrile

There total 2 articles about 2-Iodoisophthalonitrile 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: 90.0%

benzene-1,3-dicarbonitrile (626-17-5) → 2-iodo-1,3-benzenedicarbonitrile (81725-16-8)

Guidance literature:

benzene-1,3-dicarbonitrile; In tetrahydrofuran; diethyl ether; hexane; at 0 ℃; for 3h;

With iodine; In tetrahydrofuran; diethyl ether; hexane; at 20 ℃; for 16h; Further stages.;

DOI:10.1021/ja074669i

Reference yield:

C16H6N4Zn → 2-iodo-1,3-benzenedicarbonitrile (81725-16-8)

Guidance literature:

With iodine; In tetrahydrofuran; for 0.166667h; Inert atmosphere; Flow reactor;

DOI:10.1055/s-0036-1588837

Reference yield: 87.0%

2-iodo-1,3-benzenedicarbonitrile (81725-16-8) → 2-iodoisophthalaldehyde (777854-97-4)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; cyclohexane; at -25 - 20 ℃; for 3h; Inert atmosphere; Schlenk technique;

DOI:10.1039/d1cc03097c

upstream raw materials:

benzene-1,3-dicarbonitrile

Downstream raw materials:

2,6-di[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-hexylbenzene

2-iodoisophthalaldehyde

C₂₈H₄₉IN₄

2,6-di-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]iodobenzene