(2-Nitroethyl)cyclohexane

Base Information

• Chemical Name: (2-Nitroethyl)cyclohexane
• CAS No.: 40748-84-3
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• DSSTox Substance ID: DTXSID301312081
• Nikkaji Number: J789.063J
• Mol file: 40748-84-3.mol

Synonyms:(2-Nitroethyl)cyclohexane;40748-84-3;Cyclohexane, (2-nitroethyl)-;2-nitroethylcyclohexane;SCHEMBL3962160;FAYKNVFWQRGUFR-UHFFFAOYSA-N;DTXSID301312081;MFCD28362216;SY266600;EN300-1844094

Chemical Property of (2-Nitroethyl)cyclohexane

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)CC[N+](=O)[O-]

Technology Process of (2-Nitroethyl)cyclohexane

There total 7 articles about (2-Nitroethyl)cyclohexane 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: 90.0%

2-cyclohexyl-1-nitroethene (50598-92-0) → 1-nitro-2-cyclohexylethane (40748-84-3)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; at 100 ℃; for 12h; neat (no solvent);

Reference yield: 85.0%

1-cyclohexyl-2-nitroethanol (141377-56-2,141434-99-3,149559-83-1,50598-90-8) → 1-nitro-2-cyclohexylethane (40748-84-3)

Guidance literature:

With tri-n-butyl-tin hydride; In water; at 80 ℃; for 0.166667h; Microwave irradiation; Green chemistry;

DOI:10.1080/00397911.2014.926373

Reference yield: 82.0%

(E)-(2-nitrovinyl)cyclohexane (50598-92-0,132839-80-6) → 1-nitro-2-cyclohexylethane (40748-84-3)

Guidance literature:

With (3,5-(CF₃)2C₆H₃NH)2C=S; 2,6-di(Me)-1,4-dihydropyridine-3,5-di(COOEt); In dichloromethane; for 24h; Heating;

DOI:10.1055/s-2007-983805

upstream raw materials:

1-(3-Cyclohexen-1-yl)-2-nitroethylacetat

nitromethane

cyclohexanecarbaldehyde

(E)-(2-nitrovinyl)cyclohexane

Downstream raw materials:

(E)-N,N-Bis(tert-butyldimethylsiloxy)-2-cyclohexylethen-1-amin

2-Cyclohexyl-1-nitro-ethanone oxime

(R)-1-(4-cyclohexyl-3-nitro-1-(phenylsulfonyl)butylsulfonyl)benzene

3-(cyclohexylmethyl)isoxazole-4-carbaldehyde