2-Iodobenzoyl isocyanate

Base Information

• Chemical Name: 2-Iodobenzoyl isocyanate
• CAS No.: 64628-78-0
• Molecular Formula: C8H4INO2
• Molecular Weight: 273.03
• DSSTox Substance ID: DTXSID20607313
• Mol file: 64628-78-0.mol

Synonyms:2-Iodobenzoyl isocyanate;64628-78-0;SCHEMBL11082801;DTXSID20607313;AKOS026736635

Chemical Property of 2-Iodobenzoyl isocyanate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 272.92868
• Heavy Atom Count: 12
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodobenzoyl isocyanate

There total 1 articles about 2-Iodobenzoyl isocyanate 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:

oxalyl dichloride (79-37-8) + o-iodobenzamide (3930-83-4) → 2-Iodo-benzoyl isocyanate (64628-78-0)

Guidance literature:

In 1,2-dichloro-ethane; at 0 ℃; for 5h; Inert atmosphere; Reflux;

DOI:10.3390/molecules23092203

Reference yield:

4,6-bis(2,2,2-trifluoroethoxy)pyrimidine-2-amine (298219-62-2) + 2-Iodo-benzoyl isocyanate (64628-78-0) → N-((4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)carbamoyl)-2-iodobenzamide

Guidance literature:

In dichloromethane; at 20 ℃; for 12h;

DOI:10.3390/molecules23092203

Reference yield:

2-Iodo-benzoyl isocyanate (64628-78-0) + 3-Chloro-4-(5-iodo-pyrimidin-2-yloxy)-phenylamine (83173-31-3) → 1-[3-Chloro-4-(5-iodo-pyrimidin-2-yloxy)-phenyl]-3-(2-iodo-benzoyl)-urea (138193-60-9)

Guidance literature:

In 1,4-dioxane; Ambient temperature;

DOI:10.1248/cpb.39.2308

upstream raw materials:

oxalyl dichloride

o-iodobenzamide

Downstream raw materials:

1-[3-Chloro-4-(5-iodo-pyrimidin-2-yloxy)-phenyl]-3-(2-iodo-benzoyl)-urea