1-(3-Chlorophenyl)-3-(2-hydroxyethyl)urea

Base Information

• Chemical Name: 1-(3-Chlorophenyl)-3-(2-hydroxyethyl)urea
• CAS No.: 4459-90-9
• Molecular Formula: C9H11 Cl N2 O2
• Molecular Weight: 214.652
• NSC Number: 190514
• DSSTox Substance ID: DTXSID60307249
• Wikidata: Q82054615
• Mol file: 4459-90-9.mol

Synonyms:4459-90-9;NSC190514;ST51045682;SCHEMBL12931831;DTXSID60307249;AKOS008283357;NSC-190514

Chemical Property of 1-(3-Chlorophenyl)-3-(2-hydroxyethyl)urea

Chemical Property:

• Vapor Pressure: 1.96E-05mmHg at 25°C
• Boiling Point: 347.9°Cat760mmHg
• Flash Point: 164.2°C
• Density: 1.364g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.0509053
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NCCO

Technology Process of 1-(3-Chlorophenyl)-3-(2-hydroxyethyl)urea

There total 2 articles about 1-(3-Chlorophenyl)-3-(2-hydroxyethyl)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: 95.0%

1-(m-chlorophenyl)-3-<2-(trimethylsiloxy)ethyl>urea (91933-89-0) → 1-(3-Chloro-phenyl)-3-(2-hydroxy-ethyl)-urea (4459-90-9)

Guidance literature:

With acetic acid; In isopropyl alcohol; Heating;

Reference yield: 40.0%

ethanolamine (141-43-5) + m-chlorophenyl isocyanate (2909-38-8) → 1-(3-Chloro-phenyl)-3-(2-hydroxy-ethyl)-urea (4459-90-9)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 5h;

DOI:10.1021/jm030514j

Reference yield: 70.0%

n-heptanoic anhydride (626-27-7) + 1-(3-Chloro-phenyl)-3-(2-hydroxy-ethyl)-urea (4459-90-9) → 1-(3-chlorophenyl)-3-(2-hexylcarbonyloxyethyl)urea

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1021/jm030514j

upstream raw materials:

1-(m-chlorophenyl)-3-<2-(trimethylsiloxy)ethyl>urea

ethanolamine

m-chlorophenyl isocyanate

Refernces

• 1、 Kim, In-Hae,Morisseau, Christophe,Watanabe, Takaho,Hammock, Bruce D.. "Design, Synthesis, and Biological Activity of 1,3-Disubstituted Ureas as Potent Inhibitors of the Soluble Epoxide Hydrolase of Increased Water Solubility". . p. 2110 - 2122. Retrieved 2007/10/03.