3-Nitrovalerophenone

Base Information

• Chemical Name: 3-Nitrovalerophenone
• CAS No.: 80460-02-2
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.229
• Mol file: 80460-02-2.mol

Synonyms:Valerophenone,4-nitro- (6CI);4-Nitro-1-phenyl-1-pentanone;

Chemical Property of 3-Nitrovalerophenone

Chemical Property:

• Vapor Pressure: 6.85E-05mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 343.8 °C at 760 mmHg
• Flash Point: 159.8 °C
• PSA: 62.89000
• Density: 1.128 g/cm³
• LogP: 2.83790

Purity/Quality:

99% ^*data from raw suppliers

4-NITROVALEROPHENONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Nitrovalerophenone

There total 6 articles about 3-Nitrovalerophenone 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:

Nitroethane (79-24-3) + 3-dimethylaminopropiophenone (3506-36-3) → 4-nitro-1-phenyl-pentan-1-one (80460-02-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01139a055

Reference yield:

acetophenone (98-86-2) → 4-nitro-1-phenyl-pentan-1-one (80460-02-2)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: KF-18-crown-6 / acetonitrile / 3 h / Heating

With potassium fluoride 18-crown-6; In methanol; acetonitrile;

DOI:10.1039/c39820000635

Reference yield:

Nitroethane (79-24-3) + 3-diethylamino-1-phenyl-propan-1-one (94-38-2) → 4-nitro-1-phenyl-pentan-1-one (80460-02-2)

Guidance literature:

With potassium fluoride 18-crown-6; In acetonitrile; for 3h; Yield given; Heating;

DOI:10.1039/c39820000635

upstream raw materials:

Nitroethane

Phenyl vinyl ketone

3-dimethylaminopropiophenone

3-chloropropiophenone

Downstream raw materials:

4-methyl-4-nitro-1,7-diphenyl-heptane-1,7-dione

1-Phenyl-2-benzoyl-4-methyl-4-nitro-cyclohexanol-⁽¹⁾

1-phenylpentane-1,4-dione

Refernces

• 1、 Clark, James H.,Cork, David G.. "Synthesis of 1,4-Diketones by Fluoride-catalysed Michael Addition and Supported Permanganate Oxidation". . p. 635 - 636. Retrieved 2007/10/02.