Cas no 1803878-10-5 (3-Bromo-5-cyanophenylpropanal)

3-Bromo-5-cyanophenylpropanal is a versatile synthetic intermediate used in organic and medicinal chemistry. Its structure features both a bromo and a cyano substituent on the phenyl ring, along with a propanal side chain, enabling selective functionalization at multiple sites. The bromo group facilitates cross-coupling reactions, while the cyano group offers opportunities for further derivatization via hydrolysis or reduction. The aldehyde functionality allows for condensation or nucleophilic addition reactions, making it valuable in constructing complex molecular frameworks. This compound is particularly useful in pharmaceutical research and fine chemical synthesis, where precise control over reactivity and selectivity is required. Its stability under standard conditions ensures reliable handling in laboratory applications.
3-Bromo-5-cyanophenylpropanal structure
3-Bromo-5-cyanophenylpropanal structure
Product Name:3-Bromo-5-cyanophenylpropanal
CAS No:1803878-10-5
MF:C10H8BrNO
MW:238.08062171936
CID:4962022
Update Time:2025-05-19

3-Bromo-5-cyanophenylpropanal Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-cyanophenylpropanal
    • Inchi: 1S/C10H8BrNO/c1-7(6-13)9-2-8(5-12)3-10(11)4-9/h2-4,6-7H,1H3
    • InChI Key: WQGRXXQJJLFRKT-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C#N)C=C(C=1)C(C=O)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 232
  • XLogP3: 2.3
  • Topological Polar Surface Area: 40.9

3-Bromo-5-cyanophenylpropanal Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A014004670-1g
3-Bromo-5-cyanophenylpropanal
1803878-10-5 97%
1g
1,534.70 USD 2021-06-22

Additional information on 3-Bromo-5-cyanophenylpropanal

Introduction to 3-Bromo-5-cyanophenylpropanal (CAS No. 1803878-10-5)

3-Bromo-5-cyanophenylpropanal (CAS No. 1803878-10-5) is a versatile organic compound that has garnered significant attention in the fields of chemical biology and medicinal chemistry. This compound, characterized by its unique structural features, has shown promise in various applications, including as a building block for the synthesis of more complex molecules and as a potential lead compound in drug discovery.

The molecular structure of 3-Bromo-5-cyanophenylpropanal consists of a benzene ring substituted with a bromine atom at the 3-position and a cyano group at the 5-position, with a propanal side chain attached to the benzene ring. This arrangement imparts specific chemical properties that make it an attractive candidate for various chemical reactions and biological studies.

In recent years, the synthesis and characterization of 3-Bromo-5-cyanophenylpropanal have been extensively studied. One notable method involves the reaction of 3-bromo-5-cyanobenzaldehyde with propionaldehyde in the presence of a suitable catalyst. This approach has been optimized to achieve high yields and purity, making it suitable for large-scale production and further applications.

The biological activity of 3-Bromo-5-cyanophenylpropanal has also been explored in several studies. Research has shown that this compound exhibits potent inhibitory effects on certain enzymes and receptors, which are crucial targets in the treatment of various diseases. For instance, it has been reported to inhibit the activity of specific kinases involved in cancer cell proliferation, making it a potential lead compound for anticancer drug development.

Beyond its direct biological activity, 3-Bromo-5-cyanophenylpropanal serves as an important intermediate in the synthesis of more complex molecules. Its reactive functional groups allow for a wide range of chemical transformations, enabling the creation of diverse derivatives with tailored properties. These derivatives can be used in various applications, including pharmaceuticals, agrochemicals, and materials science.

In the context of drug discovery, 3-Bromo-5-cyanophenylpropanal has been utilized as a starting material for the development of novel therapeutic agents. For example, recent studies have focused on modifying this compound to enhance its pharmacological properties, such as improving solubility, bioavailability, and metabolic stability. These modifications have led to the identification of several promising candidates that are currently undergoing preclinical evaluation.

The environmental impact and safety profile of 3-Bromo-5-cyanophenylpropanal have also been investigated. Studies have shown that it is relatively stable under normal conditions and does not pose significant environmental risks when handled properly. However, appropriate safety measures should be taken during its synthesis and use to ensure worker safety and minimize any potential hazards.

In conclusion, 3-Bromo-5-cyanophenylpropanal (CAS No. 1803878-10-5) is a valuable compound with a wide range of applications in chemical biology and medicinal chemistry. Its unique structural features and biological activity make it an attractive candidate for further research and development. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is likely to play an increasingly important role in advancing our understanding and treatment of various diseases.

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