Urea, N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)-N'-phenyl-, (+-)-

Base Information

• Chemical Name: Urea, N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)-N'-phenyl-, (+-)-
• CAS No.: 70636-53-2
• Molecular Formula: C₁₈H₂₃N₃O₄
• Molecular Weight: 345.398
• ChEMBL ID: CHEMBL107879
• DSSTox Substance ID: DTXSID40990855
• Mol file: 70636-53-2.mol

Synonyms:ICI 89,963;ICI 89963

Chemical Property of Urea, N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)-N'-phenyl-, (+-)-

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 345.16885622
• Heavy Atom Count: 25
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=C(C=C2)O)O

Technology Process of Urea, N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)-N'-phenyl-, (+-)-

There total 4 articles about Urea, N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)-N'-phenyl-, (+-)- 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:

1-benzyloxy-4-(2,3-epoxy-propoxy)-benzene (28150-30-3) → 1-<2-<<2-hydroxy-3-(4-hydroxyphenoxy)propyl>amino>ethyl>-3-phenylurea (70636-53-2)

Guidance literature:

Multi-step reaction with 2 steps

1: propan-2-ol / 3 h / Heating

2: H₂, AcOH / 30percent Pd/C / 1.5 h

With hydrogen; acetic acid; palladium on activated charcoal; In isopropyl alcohol;

DOI:10.1021/jm00135a015

Reference yield:

1-(2-aminoethyl)-3-phenylurea (53673-01-1) → 1-<2-<<2-hydroxy-3-(4-hydroxyphenoxy)propyl>amino>ethyl>-3-phenylurea (70636-53-2)

Guidance literature:

Multi-step reaction with 2 steps

1: propan-2-ol / 3 h / Heating

2: H₂, AcOH / 30percent Pd/C / 1.5 h

With hydrogen; acetic acid; palladium on activated charcoal; In isopropyl alcohol;

DOI:10.1021/jm00135a015

Reference yield:

1-{2-[3-(4-Benzyloxy-phenoxy)-2-hydroxy-propylamino]-ethyl}-3-phenyl-urea → 1-<2-<<2-hydroxy-3-(4-hydroxyphenoxy)propyl>amino>ethyl>-3-phenylurea (70636-53-2)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; for 1.5h;

DOI:10.1021/jm00135a015

upstream raw materials:

1-benzyloxy-4-(2,3-epoxy-propoxy)-benzene

1-(2-aminoethyl)-3-phenylurea