Cas no 179057-29-5 (4-(1H-Pyrazol-3-yl)benzaldehyde)

4-(1H-Pyrazol-3-yl)benzaldehyde is a versatile heterocyclic aldehyde compound featuring a pyrazole moiety linked to a benzaldehyde group. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and functional materials. The presence of both the aldehyde and pyrazole functionalities allows for diverse reactivity, enabling applications in condensation, cyclization, and cross-coupling reactions. Its well-defined molecular architecture ensures high purity and consistency, making it suitable for research and industrial-scale processes. The compound is often employed in the development of biologically active molecules due to its ability to serve as a key scaffold in medicinal chemistry.
4-(1H-Pyrazol-3-yl)benzaldehyde structure
179057-29-5 structure
Product Name:4-(1H-Pyrazol-3-yl)benzaldehyde
CAS No:179057-29-5
MF:C10H8N2O
MW:172.18332195282
MDL:MFCD08669905
CID:113068
PubChem ID:10607288
Update Time:2025-10-29

4-(1H-Pyrazol-3-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-(1H-Pyrazol-3-yl)benzaldehyde
    • 4-(1H-pyrazol-5-yl)benzaldehyde
    • Benzaldehyde,4-(1H-pyrazol-3-yl)-
    • 4-(pyrazol-3-yl)benzaldehyde
    • EN300-842967
    • 4-(2H-Pyrazol-3-yl)-benzaldehyde
    • CS-0448913
    • DTXSID40442364
    • MFCD28048976
    • AKOS006290505
    • 179057-29-5
    • SCHEMBL7030925
    • P16393
    • SCHEMBL22133010
    • MDL: MFCD08669905
    • Inchi: 1S/C10H8N2O/c13-7-8-1-3-9(4-2-8)10-5-6-11-12-10/h1-7H,(H,11,12)
    • InChI Key: OSTFMHHFZUBNQW-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC(=CC=1)C1=CC=NN1

Computed Properties

  • Exact Mass: 172.06400
  • Monoisotopic Mass: 172.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • Density: 1.248
  • Boiling Point: 413.835 °C at 760 mmHg
  • Flash Point: 205.897 °C
  • PSA: 45.75000
  • LogP: 1.88920

4-(1H-Pyrazol-3-yl)benzaldehyde Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 4-(1H-Pyrazol-3-yl)benzaldehyde

4-(1H-Pyrazol-3-yl)benzaldehyde: A Comprehensive Overview

4-(1H-Pyrazol-3-yl)benzaldehyde, also known by its CAS number 179057-29-5, is a fascinating compound with significant potential in various fields of chemistry and materials science. This compound, which belongs to the class of aromatic aldehydes, has garnered attention due to its unique structural features and promising applications. In this article, we will delve into the properties, synthesis, applications, and recent advancements related to 4-(1H-Pyrazol-3-yl)benzaldehyde.

The molecular structure of 4-(1H-Pyrazol-3-yl)benzaldehyde consists of a benzene ring substituted with a pyrazole group at the 4-position and an aldehyde group at the para position. The pyrazole ring, a five-membered aromatic heterocycle containing two nitrogen atoms, contributes to the compound's unique electronic properties. This structure makes it an interesting candidate for various chemical reactions and applications. Recent studies have highlighted its role in the synthesis of bioactive molecules and advanced materials.

One of the most notable aspects of 4-(1H-Pyrazol-3-yl)benzaldehyde is its versatility in chemical synthesis. It serves as a valuable intermediate in the construction of complex molecules, particularly in the field of medicinal chemistry. For instance, researchers have utilized this compound as a building block for designing kinase inhibitors and other bioactive agents. The aldehyde group provides reactivity for condensation reactions, such as the formation of imines or Schiff bases, which are crucial in organic synthesis.

In terms of synthesis, several methods have been reported for the preparation of 4-(1H-Pyrazol-3-yl)benzaldehyde. One common approach involves the nucleophilic addition of pyrazole derivatives to benzaldehyde under specific reaction conditions. Another method employs cross-coupling reactions, such as the Suzuki-Miyaura coupling, to introduce the pyrazole group onto the benzene ring. These methods not only highlight the compound's synthetic accessibility but also underscore its importance in modern organic chemistry.

The applications of 4-(1H-Pyrazol-3-yl)benzaldehyde extend beyond traditional organic synthesis. Recent research has explored its potential in materials science, particularly in the development of novel sensors and catalytic systems. The pyrazole moiety's ability to coordinate with metal ions makes it a promising candidate for metalloorganic frameworks (MOFs) and other advanced materials. Additionally, studies have demonstrated its use as a precursor for synthesizing fluorescent probes and other optoelectronic materials.

In conclusion, 4-(1H-Pyrazol-3-yl)benzaldehyde, with its unique structure and diverse applications, continues to be a subject of intense research interest. Its role as a versatile building block in organic synthesis, coupled with its potential in materials science and biochemistry, positions it as an important compound in contemporary chemical research. As new discoveries emerge, we can expect even more innovative applications for this remarkable molecule.

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