2-Nitro-3-pentanone

Base Information

• Chemical Name: 2-Nitro-3-pentanone
• CAS No.: 13485-58-0
• Molecular Formula: C5H9NO3
• Molecular Weight: 131.131
• DSSTox Substance ID: DTXSID90508727
• Nikkaji Number: J545.945A
• Mol file: 13485-58-0.mol

Synonyms:2-NITRO-3-PENTANONE;2-nitropentan-3-one;13485-58-0;SCHEMBL11507850;DTXSID90508727;AKOS006327134;FT-0672812;J-006612

Chemical Property of 2-Nitro-3-pentanone

Chemical Property:

• PSA: 62.89000
• LogP: 1.15390
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

2-Nitro-3-pentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(C)[N+](=O)[O-]
• Uses: 2-Nitro-3-pentanone (cas# 13485-58-0) is a compound useful in organic synthesis.

Technology Process of 2-Nitro-3-pentanone

There total 1 articles about 2-Nitro-3-pentanone 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:

2-nitropentan-3-ol (20575-40-0,138668-19-6,138668-26-5) → 2-Nitro-3-pentanone (13485-58-0)

Guidance literature:

With sodium dichromate; sulfuric acid;

DOI:10.1021/jo01125a018

Reference yield: 90.0%

2-Nitro-3-pentanone (13485-58-0) + lithium phenylacetylide (4440-01-1) → 3-Ethyl-4-nitro-1-phenyl-1-pentyn-3-ol

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; 1.) -30 deg C, 20 min, 2.) 0 deg C, 3.5 h;

DOI:10.1021/jo00064a025

Reference yield: 85.0%

2-Nitro-3-pentanone (13485-58-0) + phenyllithium (591-51-5) → 2-Nitro-3-phenyl-pentanol

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; 1.) -30 deg C, 20 min, 2.) 0 deg C, 3 h;

DOI:10.1021/jo00064a025

upstream raw materials:

2-nitropentan-3-ol

Downstream raw materials:

3-tridecanone

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 13485-58-0 2-NITRO-3-PENTANONE

Send

Send

Metric Ton KG G Pound L ML

Send

Send