1-(1-Nitropropyl)cyclohex-1-ene

Base Information

• Chemical Name: 1-(1-Nitropropyl)cyclohex-1-ene
• CAS No.: 90942-72-6
• Molecular Formula: C9H15NO2
• Molecular Weight: 169.224
• DSSTox Substance ID: DTXSID20546475
• Nikkaji Number: J2.414.415A
• Mol file: 90942-72-6.mol

Synonyms:90942-72-6;DTXSID20546475;1-(1-Nitropropyl)cyclohex-1-ene

Chemical Property of 1-(1-Nitropropyl)cyclohex-1-ene

Chemical Property:

• PSA: 45.82000
• LogP: 3.06530
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 169.110278721
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CCCCC1)[N+](=O)[O-]

Technology Process of 1-(1-Nitropropyl)cyclohex-1-ene

There total 2 articles about 1-(1-Nitropropyl)cyclohex-1-ene 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: 75.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 1-Nitropropane (108-03-2) → 1-(1-nitropropyl)cyclohexene (90942-72-6)

Guidance literature:

With N,N`-dimethylethylenediamine; In benzene; for 22h; Heating;

DOI:10.1021/jo00373a007

Reference yield:

1-(1-Nitro-propyl)-cyclohexanol (59906-63-7) → 1-(1-nitropropyl)cyclohexene (90942-72-6)

Guidance literature:

With pyridine; thionyl chloride;

DOI:10.1039/jr9340000604

Reference yield:

1-(1-nitropropyl)cyclohexene (90942-72-6) + ozone (10028-15-6) + ethyl acetate (141-78-6) → Adipic acid (124-04-9) + propionic acid (802294-64-0,79-09-4)

Guidance literature:

Erwaermen des gebildeten Ozonids mit wss. NaHCO₃-Loesung;

DOI:10.1039/jr9340000604

upstream raw materials:

1-(1-Nitro-propyl)-cyclohexanol

cyclohexanone

1-Nitropropane

Downstream raw materials:

propionaldehyde

Adipic acid

propionic acid