1-(4-Bromophenyl)-3-ethylurea

Base Information

• Chemical Name: 1-(4-Bromophenyl)-3-ethylurea
• CAS No.: 82745-18-4
• Molecular Formula: C9H11BrN2O
• Molecular Weight: 243.103
• Hs Code.: 2924299090
• European Community (EC) Number: 667-029-4
• Mol file: 82745-18-4.mol

Synonyms:1-(4-bromophenyl)-3-ethylurea;82745-18-4;N-(4-Bromophenyl)-N'-ethyl urea;SCHEMBL7918021;CS-M2093;AKOS008937059;CS-14581;C12551;A1-10448

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

Chemical Property:

• PSA: 41.13000
• LogP: 3.05440
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.00548
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

≥95% ^*data from raw suppliers

1-(4-Bromophenyl)-3-ethylurea 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 1-(4-Bromophenyl)-3-ethylurea 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: 95.0%

ethylamine (75-04-7,85404-22-4) + 4-bromophenyl isocyanate (2493-02-9) → 1-(4-bromophenyl)-3-ethylurea (82745-18-4)

Guidance literature:

In dichloromethane; at 20 ℃; for 1h;

Reference yield: 67.0%

4-bromo-aniline (106-40-1) + ethyl isocyanate (109-90-0) → 1-(4-bromophenyl)-3-ethylurea (82745-18-4)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1021/jm501557a

Reference yield: 84.0%

1-(4-bromophenyl)-3-ethylurea (82745-18-4) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 1-ethyl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]urea (874291-00-6)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; at 100 ℃; for 2h;

upstream raw materials:

4-bromo-aniline

ethyl isocyanate

ethylamine

4-bromophenyl isocyanate

Downstream raw materials:

N-ethyl-N'-(4-bromo-2,6-dinitro-phenyl)-N-nitro-urea

4-bromo-2,6-dinitroaniline

C₁₆H₂₁BrN₂O₃