1,1-Diethyl-3-(4-iodophenyl)urea

Base Information

• Chemical Name: 1,1-Diethyl-3-(4-iodophenyl)urea
• CAS No.: 25434-10-0
• Molecular Formula: C₁₁H₁₅IN₂O
• Molecular Weight: 318.157
• DSSTox Substance ID: DTXSID301298576
• Nikkaji Number: J3.628.744F
• Mol file: 25434-10-0.mol

Synonyms:1,1-diethyl-3-(4-iodophenyl)urea;N,N-Diethyl-N'-(4-iodophenyl)urea;25434-10-0;DTXSID301298576;HMS1679I13;1,1-Diethyl-3-(4-iodophenyl)-urea;AKOS000597653;CS-0298098;J3.628.744F;AB00026873-01;SR-01000315978;SR-01000315978-1;F1757-0379;Z274555330

Chemical Property of 1,1-Diethyl-3-(4-iodophenyl)urea

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 318.02291
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C(=O)NC1=CC=C(C=C1)I

Technology Process of 1,1-Diethyl-3-(4-iodophenyl)urea

There total 3 articles about 1,1-Diethyl-3-(4-iodophenyl)urea 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: 92.0%

1-phenyl-3,3-diethylurea (1014-72-8) → N,N-diethyl-N′-(4-iodophenyl)urea (25434-10-0)

Guidance literature:

With triiodoisocyanuric acid; In acetonitrile; at 25 ℃; regioselective reaction;

DOI:10.1055/s-0036-1589149

Reference yield:

phenyl isocyanate (103-71-9) → N,N-diethyl-N′-(4-iodophenyl)urea (25434-10-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 20 °C

2: iodine; trichloroisocyanuric acid / acetonitrile / 0.5 h / 20 °C

With trichloroisocyanuric acid; iodine; In acetonitrile;

DOI:10.1055/s-0036-1588370

Reference yield:

1-iodo-4-isocyanatobenzene (15845-62-2) + diethylamine (109-89-7) → N,N-diethyl-N′-(4-iodophenyl)urea (25434-10-0)

Guidance literature:

upstream raw materials:

1-iodo-4-isocyanatobenzene

diethylamine

1-phenyl-3,3-diethylurea

phenyl isocyanate