1-(4-Bromophenyl)-3-propylurea

Base Information

• Chemical Name: 1-(4-Bromophenyl)-3-propylurea
• CAS No.: 13208-61-2
• Molecular Formula: C₁₀H₁₃BrN₂O
• Molecular Weight: 257.13
• European Community (EC) Number: 665-808-3
• Mol file: 13208-61-2.mol

Synonyms:1-(4-bromophenyl)-3-propylurea;N-(4-bromophenyl)-N'-propylurea;AKOS002938177;13208-61-2

Chemical Property of 1-(4-Bromophenyl)-3-propylurea

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 256.02113
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

1-(4-BROMOPHENYL)-3-PROPYLUREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNC(=O)NC1=CC=C(C=C1)Br

Technology Process of 1-(4-Bromophenyl)-3-propylurea

There total 2 articles about 1-(4-Bromophenyl)-3-propylurea 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: 48.0%

Propyl isocyanate (110-78-1) + 4-bromo-aniline (106-40-1) → 1-(4-bromophenyl)-3-propylurea (13208-61-2)

Guidance literature:

In dichloromethane; at 20 ℃; for 18h;

DOI:10.1021/acs.jmedchem.8b01655

Reference yield:

propylamine (107-10-8,42939-71-9) + succinimido p-bromophenylcarbamate (95264-48-5) → 1-(4-bromophenyl)-3-propylurea (13208-61-2)

Guidance literature:

In acetonitrile; for 0.0333333h; Ambient temperature; prototype reaction, oth. alkylamines;

DOI:10.1021/ac00125a005

upstream raw materials:

Propyl isocyanate

4-bromo-aniline

propylamine

succinimido p-bromophenylcarbamate