N-cyclohexylmethanimine

Base Information

• Chemical Name: N-cyclohexylmethanimine
• CAS No.: 4705-14-0
• Molecular Formula: C7H13N
• Molecular Weight: 111.187
• NSC Number: 202863
• DSSTox Substance ID: DTXSID50308265
• Nikkaji Number: J1.223.271C
• Wikidata: Q82056051
• Mol file: 4705-14-0.mol

Synonyms:N-cyclohexylmethanimine;4705-14-0;NSC202863;N-methylenecyclohexylamine;SCHEMBL6376021;DTXSID50308265;NSC-202863

Chemical Property of N-cyclohexylmethanimine

Chemical Property:

• Vapor Pressure: 2.14mmHg at 25°C
• Boiling Point: 168.4°Cat760mmHg
• Flash Point: 46.9°C
• Density: 0.92g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 111.104799419
• Heavy Atom Count: 8
• Complexity: 72.5

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=NC1CCCCC1

Technology Process of N-cyclohexylmethanimine

There total 4 articles about N-cyclohexylmethanimine 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + C9H20NP → N-methylenecyclohexylamine (4705-14-0)

Guidance literature:

In dichloromethane; toluene; at 20 ℃; for 6h;

DOI:10.1055/s-2001-14646

Reference yield:

cyclohexyl azide (19573-22-9) → N-methylenecyclohexylamine (4705-14-0)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂; toluene / 1.5 h / 25 °C

2: CH₂Cl₂; toluene / 6 h / 20 °C

In dichloromethane; toluene; 1: Staudinger reaction / 2: aza-Wittig reaction;

DOI:10.1055/s-2001-14646

Reference yield:

1,3,5-tricyclohexyl-[1,3,5]triazinane (6281-14-7) → N-methylenecyclohexylamine (4705-14-0)

Guidance literature:

In chloroform-d1;

DOI:10.1016/j.molstruc.2008.05.019

upstream raw materials:

formaldehyd

cyclohexyl azide

d⁽⁴⁾-methanol

1,3,5-tricyclohexyl-[1,3,5]triazinane

Downstream raw materials:

3-cyclohexyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one

C₉H₁₂Cl₃NO

4,5-bis(dichloromethylene)-1,3-dicyclohexylimidazolidin-2-one

C₂₀H₃₁N₂O₂PS₂

Refernces

• 1、 Kato,Ohmori,Suzuki. "Convenient procedure for one-pot conversion of azides to N-monomethylamines". . p. 1003 - 1005. Retrieved 2007/10/03.