2-Nitrocyclopentanone

Base Information

• Chemical Name: 2-Nitrocyclopentanone
• CAS No.: 22498-31-3
• Molecular Formula: C5H7NO3
• Molecular Weight: 129.115
• DSSTox Substance ID: DTXSID80446684
• Nikkaji Number: J461.094F
• Mol file: 22498-31-3.mol

Synonyms:2-nitrocyclopentanone;Cyclopentanone, 2-nitro-;22498-31-3;2-nitro-cyclopentan-1-one;SCHEMBL8849680;DTXSID80446684

Chemical Property of 2-Nitrocyclopentanone

Chemical Property:

• PSA: 62.89000
• LogP: 0.90790
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.042593085
• Heavy Atom Count: 9
• Complexity: 149

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(=O)C1)[N+](=O)[O-]

Technology Process of 2-Nitrocyclopentanone

There total 1 articles about 2-Nitrocyclopentanone 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:

tetranitromethane (509-14-8) + 1-(trimethylsilyloxy)cyclopentene (19980-43-9) → trinitromethane (517-25-9,57073-37-7) + 2-nitrocyclopentan-1-one (22498-31-3)

Guidance literature:

In dichloromethane; for 5h; Ambient temperature;

DOI:10.1021/jo9515687

Reference yield: 96.0%

methanol (67-56-1) + 2-nitrocyclopentan-1-one (22498-31-3) → 5-Nitropentanoic acid,methyl ester (34805-47-5)

Guidance literature:

With amberlyst A₂₁; for 1h; Heating;

DOI:10.1055/s-1992-26106

Reference yield: 92.0%

methanol (67-56-1) + 2-nitrocyclopentan-1-one (22498-31-3) → Dimethyl glutarate (1119-40-0)

Guidance literature:

With dipotassium peroxodisulfate; sulfuric acid; at 80 ℃; for 2h;

DOI:10.1016/S0040-4020(97)10052-7

upstream raw materials:

tetranitromethane

1-(trimethylsilyloxy)cyclopentene

Downstream raw materials:

5-Nitropentanoic acid,methyl ester

Dimethyl glutarate

methyl 4-formylbutanoate

Refernces