N-Nitroso-N-methylcyclohexylamine

Base Information

• Chemical Name: N-Nitroso-N-methylcyclohexylamine
• CAS No.: 5432-28-0
• Molecular Formula: C7H14 N2 O
• Molecular Weight: 142.201
• Hs Code.: 2928000090
• European Community (EC) Number: 862-533-2
• NSC Number: 6829
• UNII: VVL0BT0AWL
• DSSTox Substance ID: DTXSID40202687
• Nikkaji Number: J34.018I
• Wikidata: Q27292039
• ChEMBL ID: CHEMBL166004
• Mol file: 5432-28-0.mol

Synonyms:methylcyclohexylnitrosamine;N-nitroso-N-methylcyclohexylamine;nitrosomethylcyclohexylamine

Chemical Property of N-Nitroso-N-methylcyclohexylamine

Chemical Property:

• Vapor Pressure: 0.0242mmHg at 25°C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 256.8°C at 760 mmHg
• PKA: -3.14±0.20(Predicted)
• Flash Point: 109.1°C
• PSA: 32.67000
• Density: 1.1g/cm³
• LogP: 1.93230
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

N-NITROSO-N-METHYLCYCLOHEXYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: CN(C1CCCCC1)N=O

Technology Process of N-Nitroso-N-methylcyclohexylamine

There total 5 articles about N-Nitroso-N-methylcyclohexylamine 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: 99.0%

N-methylcyclohexylamine (100-60-7) → N-nitroso-N-methylcyclohexylamine (5432-28-0)

Guidance literature:

With trichloroisocyanuric acid; silica gel; sodium nitrite; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1055/s-2002-31897

Reference yield:

N,N-dimethyl-cyclohexanamine (98-94-2) → N-nitroso-N-methylcyclohexylamine (5432-28-0)

Guidance literature:

With diethyl ether; nitrosylchloride;

Reference yield:

bromhexine monohydrochloride (611-75-6) → N-nitroso-N-methylcyclohexylamine (5432-28-0)

Guidance literature:

With sodium nitrite; In water; for 6h; Product distribution; time, pH, and concentration dependence of the reaction;

upstream raw materials:

N-methylcyclohexylamine

N,N-dimethyl-cyclohexanamine

bromhexine monohydrochloride

diethyl ether

Downstream raw materials:

C₂₀H₂₄N₂O₂

N-methylcyclohexylamine

2-Hydroxy-thiobenzoesaeure-(N²-methyl-N²-cyclohexyl-hydrazid)

N-Cyclohexyl-formamidoxim

Refernces

• 1、 Goudarziafshar, Hamid,Ghorbani-Choghamarani, Arash,Hadian, Laila. "N-nitrosation of secondary amines using supported perchloric acid on silica gel and stereoselectivity study of nitrosated products". . p. 1272 - 1276. Retrieved 2014/04/03.
• 2、 Bamoniri,Zolfigol,Mirjalili,Fallah. "Efficient procedure for chemoselective N-nitrosation of secondary amines with trichloromelamine-NaNO2". . p. 1393 - 1396. Retrieved 2008/03/27.