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AB65433

121-89-1 | 3'-Nitroacetophenone

Packsize Purity Availability Price Discounted Price    Quantity
25g 98% in stock $9.00 $6.00 -   +
100g 98% in stock $20.00 $14.00 -   +
500g 98% in stock $48.00 $33.00 -   +

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Description
Catalog Number: AB65433
Chemical Name: 3'-Nitroacetophenone
CAS Number: 121-89-1
Molecular Formula: C8H7NO3
Molecular Weight: 165.14607999999998
MDL Number: MFCD00007259
SMILES: CC(=O)c1cccc(c1)[N+](=O)[O-]
NSC Number: 5511

 

Computed Properties
Complexity: 197  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Rotatable Bond Count: 1  
XLogP3: 1.4  

 

 

Upstream Synthesis Route 
  • 3'-Nitroacetophenone is a versatile compound widely utilized in chemical synthesis as a key building block for the preparation of various organic compounds and pharmaceuticals. One of its prominent applications is as a precursor in the synthesis of heterocyclic compounds, such as pyrazoles, pyrimidines, and quinazolines, which are vital structures in medicinal chemistry. Additionally, 3'-Nitroacetophenone is employed in the synthesis of dyes, pesticides, and other fine chemicals due to its ability to undergo diverse chemical transformations, including reduction, acylation, and cyclization reactions. Furthermore, its nitro group serves as a valuable synthetic handle for further derivatization, enabling the introduction of other functional groups to tailor the properties of the final compound. With its pivotal role in organic synthesis, 3'-Nitroacetophenone continues to be a valuable tool for chemists in the development of novel molecules and pharmaceuticals.
Literature
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