1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea

Base Information

• Chemical Name: 1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea
• CAS No.: 57910-94-8
• Molecular Formula: C₁₄H₁₇N₃O₂
• Molecular Weight: 259.308
• NSC Number: 108119
• DSSTox Substance ID: DTXSID10296174
• Nikkaji Number: J877.607E
• Wikidata: Q82036612
• Mol file: 57910-94-8.mol

Synonyms:1-(1-cyanocyclohexyl)-1-hydroxy-3-phenylurea;57910-94-8;NSC108119;DTXSID10296174;NSC-108119

Chemical Property of 1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.26g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 259.132076794
• Heavy Atom Count: 19
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)(C#N)N(C(=O)NC2=CC=CC=C2)O

Technology Process of 1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea

There total 2 articles about 1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea 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-(hydroxyamino)cyclohexanecarbonitrile (5259-69-8) + phenyl isocyanate (103-71-9) → 1-(1-cyano-cyclohexyl)-1-hydroxy-3-phenyl-urea (57910-94-8)

Guidance literature:

DOI:10.1002/ardp.19783110109

Reference yield:

→ 1-(1-cyano-cyclohexyl)-1-hydroxy-3-phenyl-urea (57910-94-8)

Guidance literature:

Reference yield:

1-(1-cyano-cyclohexyl)-1-hydroxy-3-phenyl-urea (57910-94-8) → 2-(4-chloro-phenylimino)-4-imino-3-oxa-1-aza-spiro[4.5]decan-1-ol (66286-10-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / benzene

2: EtOH / Heating

With ethanol; triethylamine; In benzene;

DOI:10.1002/ardp.19783110109

upstream raw materials:

1-(hydroxyamino)cyclohexanecarbonitrile

phenyl isocyanate

Downstream raw materials:

1-(3,5-Dioxo-4-phenyl-1,2,4-oxadiazolidin-2-yl)-1-cyclohexancarbonitril

N²-phenyl-1-phenylcarbamoyloxy-3-oxa-1-aza-spiro[4.5]decane-2,4-diylidenediamine

N-(1-Cyano-cyclohexyl)-N-hydroxy-benzamide

1-benzoyloxy-N²-phenyl-3-oxa-1-aza-spiro[4.5]decane-2,4-diylidenediamine