2-Nitro-2-(3-oxobutyl)cyclohexan-1-one

Base Information

• Chemical Name: 2-Nitro-2-(3-oxobutyl)cyclohexan-1-one
• CAS No.: 86572-26-1
• Molecular Formula: C10H15NO4
• Molecular Weight: 213.233
• DSSTox Substance ID: DTXSID10511576
• Nikkaji Number: J2.473.142A

Synonyms:2-Nitro-2-(3-oxobutyl)cyclohexan-1-one;86572-26-1;DTXSID10511576

Chemical Property of 2-Nitro-2-(3-oxobutyl)cyclohexan-1-one

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 213.10010796
• Heavy Atom Count: 15
• Complexity: 294

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1(CCCCC1=O)[N+](=O)[O-]

Technology Process of 2-Nitro-2-(3-oxobutyl)cyclohexan-1-one

There total 1 articles about 2-Nitro-2-(3-oxobutyl)cyclohexan-1-one 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: 97.0%

2-nitrocyclohexanone (4883-67-4) + methyl vinyl ketone (78-94-4,25038-87-3) → (+/-)-4-(1-Nitro-2-oxocyclohexyl)butan-2-one (86572-26-1)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 20h;

DOI:10.1002/hlca.19830660318

Reference yield: 90.0%

(+/-)-4-(1-Nitro-2-oxocyclohexyl)butan-2-one (86572-26-1) → 2-(3-oxobutyl)cyclohexanone (26942-62-1)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 2h;

DOI:10.1039/c39830000875

Reference yield: 74.5%

(+/-)-4-(1-Nitro-2-oxocyclohexyl)butan-2-one (86572-26-1) + sodium thiophenolate (930-69-8) → 6-Nitro-9-oxodecansaeure-phenylthioester

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 1.16667h;

DOI:10.1002/hlca.19830660519

upstream raw materials:

2-nitrocyclohexanone

methyl vinyl ketone

Downstream raw materials:

2-(3-oxobutyl)cyclohexanone

(+/-)-2-(3-Hydroxybutyl)-2-nitrocyclohexan-1-ol

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