1-(Hydroxyamino)cyclohexanecarbonitrile

Base Information

• Chemical Name: 1-(Hydroxyamino)cyclohexanecarbonitrile
• CAS No.: 5259-69-8
• Molecular Formula: C14H21NO3
• Molecular Weight: 140.185
• European Community (EC) Number: 665-070-2
• NSC Number: 71312
• DSSTox Substance ID: DTXSID40967022
• Nikkaji Number: J2.112.626H
• Mol file: 5259-69-8.mol

Synonyms:5259-69-8;1-(hydroxyamino)cyclohexane-1-carbonitrile;1-(hydroxyamino)cyclohexanecarbonitrile;NSC71312;DTXSID40967022;NSC-71312;AKOS015907559;1-(hydroxyamino)-cyclohexane-1-carbonitrile

Chemical Property of 1-(Hydroxyamino)cyclohexanecarbonitrile

Chemical Property:

• Vapor Pressure: 5.76E-05mmHg at 25°C
• Boiling Point: 309.5°C at 760 mmHg
• Flash Point: 141°C
• Density: 1.11g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.094963011
• Heavy Atom Count: 10
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C#N)NO

Technology Process of 1-(Hydroxyamino)cyclohexanecarbonitrile

There total 7 articles about 1-(Hydroxyamino)cyclohexanecarbonitrile 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:

cyclohexanone-oxime (100-64-1) + sodium cyanide (143-33-9,25596-52-5) → 1-(hydroxyamino)cyclohexanecarbonitrile (5259-69-8)

Guidance literature:

With sodium hydrogensulfite;

DOI:10.1021/jo01101a007

Reference yield:

sodium cyanide (143-33-9,25596-52-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(hydroxyamino)cyclohexanecarbonitrile (5259-69-8)

Guidance literature:

With hydrogenchloride; water; hydroxylamine;

DOI:10.1021/jo01101a007

Reference yield:

1-(1-cyano-cyclohexyl)-1-hydroxy-3-phenyl-urea (57910-94-8) + tert-butylamine (75-64-9) → 1-(hydroxyamino)cyclohexanecarbonitrile (5259-69-8) + 1-tert-butyl-3-phenylurea (15054-54-3) + 1-cyano-1-nitrosocyclohexane (16603-34-2)

Guidance literature:

In chloroform; at 37 ℃; Further Variations:; Fe3+ -porphyrin complex, (CF3COO)2I-C6H5; Product distribution;

DOI:10.1002/(SICI)1521-4184(200001)333:1<27::AID-ARDP27>3.0.CO;2-Z

upstream raw materials:

cyclohexanone-oxime

sodium cyanide

1-(dimethylamino)cyclohexanecarbonitrile

cyclohexanone

Downstream raw materials:

O-(2,4-dinitrophenyl) cyclohexanone oxime

1-(1-Cyanocyclohexyl)-1-hydroxy-2-(2,2,2-trichloroethyl)isourea

1-tetrahydro[1,2]oxazin-2-yl-cyclohexanecarbonitrile

1-(3,6-dihydro-[1,2]oxazin-2-yl)-cyclohexanecarbonitrile