N-Cyclohexyl-N'-[4-(2,3-epoxypropoxy)phenyl]urea

Base Information

• Chemical Name: N-Cyclohexyl-N'-[4-(2,3-epoxypropoxy)phenyl]urea
• CAS No.: 38649-72-8
• Molecular Formula: C₁₆H₂₂N₂O₃
• Molecular Weight: 290.362
• DSSTox Substance ID: DTXSID10481846
• Mol file: 38649-72-8.mol

Synonyms:38649-72-8;N-Cyclohexyl-N'-[4-(2,3-epoxypropoxy)phenyl]urea;1-CYCLOHEXYL-3-[4-(OXIRAN-2-YLMETHOXY)PHENYL]UREA;1-Cyclohexyl-3-(4-(oxiran-2-ylmethoxy)phenyl)urea;DTXSID10481846;FT-0665355;N-Cyclohexyl-N'-{4-[(oxiran-2-yl)methoxy]phenyl}urea;N-Cyclohexyl-N inverted exclamation mark -[4-(2,3-epoxypropoxy)phenyl]urea

Chemical Property of N-Cyclohexyl-N'-[4-(2,3-epoxypropoxy)phenyl]urea

Chemical Property:

• PSA: 66.38000
• LogP: 3.19580
• Solubility.: DMSO
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 290.16304257
• Heavy Atom Count: 21
• Complexity: 336

Purity/Quality:

95% ^*data from raw suppliers

N-Cyclohexyl-N’-[4-(2,3-epoxypropoxy)phenyl]urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)OCC3CO3
• Uses: Talinolol intermediate.

Technology Process of N-Cyclohexyl-N'-[4-(2,3-epoxypropoxy)phenyl]urea

There total 1 articles about N-Cyclohexyl-N'-[4-(2,3-epoxypropoxy)phenyl]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:

1-cyclohexyl-3-(4-hydroxyphenyl)urea (38652-23-2) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-Cyclohexyl-3-(4-oxiranylmethoxy-phenyl)-urea (38649-72-8)

Guidance literature:

With sodium hydroxide; In water; at 25 - 60 ℃;

DOI:10.1016/j.bmc.2006.06.006

Reference yield:

(+/-)-α-(1-aminoethyl)-4-hydroxybenzyl alcohol hydrochloride (13062-82-3) + 1-Cyclohexyl-3-(4-oxiranylmethoxy-phenyl)-urea (38649-72-8) → 1-cyclohexyl-3-(4-{2-hydroxy-3-[2-hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-propoxy}-phenyl)-urea

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2006.06.006

Reference yield:

1-Cyclohexyl-3-(4-oxiranylmethoxy-phenyl)-urea (38649-72-8) → 1-<4-(3-Cyclohexylureido)-phenoxy>-2-hydroxy-3-chlorpropan (38652-19-6)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

1-cyclohexyl-3-(4-hydroxyphenyl)urea

epichlorohydrin

Downstream raw materials:

1-<4-(3-Cyclohexylureido)-phenoxy>-2-hydroxy-3-chlorpropan

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