Urea, (4-iodophenyl)-

Base Information

• Chemical Name: Urea, (4-iodophenyl)-
• CAS No.: 13114-95-9
• Molecular Formula: C7H7IN2O
• Molecular Weight: 262.05
• DSSTox Substance ID: DTXSID90365216
• Nikkaji Number: J3.628.741A
• Wikidata: Q82149698
• Mol file: 13114-95-9.mol

Synonyms:Urea, (4-iodophenyl)-;p-iodophenylurea;13114-95-9;N-(4-iodophenyl)urea;1-(4-iodophenyl)urea;SCHEMBL5533070;DTXSID90365216;AKOS001022176;J3.628.741A;AE-848/33822044;SR-01000025143;SR-01000025143-1;Z56754684

Chemical Property of Urea, (4-iodophenyl)-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 261.96031
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)N)I

Technology Process of Urea, (4-iodophenyl)-

There total 12 articles about Urea, (4-iodophenyl)- 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: 87.0%

phenyl carbamate (64-10-8) → 1-(4-iodophenyl)urea (13114-95-9)

Guidance literature:

With trichloroisocyanuric acid; iodine; In acetonitrile; at 20 ℃; for 0.25h; regioselective reaction;

DOI:10.1055/s-0036-1588370

Reference yield: 85.0%

monophenylthiourea (103-85-5) → 1-(4-iodophenyl)urea (13114-95-9)

Guidance literature:

With potassium dichloroiodate; In water; acetonitrile; for 1.5h; Time; Reflux;

DOI:10.1016/j.tetlet.2012.12.045

Reference yield: 72.0%

potassium cyanate (590-28-3) + p-aminoiodobenzene (540-37-4) → 1-(4-iodophenyl)urea (13114-95-9)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 4h;

DOI:10.1039/c6ce01324d

upstream raw materials:

phenyl carbamate

N-(4-iodophenyl)cyanamide

urea

p-aminoiodobenzene

Downstream raw materials:

N-acetylacetamide

4-Acetamido-1-iodobenzene

N-carbamoyl-sulfanilic acid

iodine