Cas no 857283-89-7 (3-(1-Pyrrolidinyl)benzaldehyde)

3-(1-Pyrrolidinyl)benzaldehyde is a versatile aromatic aldehyde featuring a pyrrolidine substituent at the meta position of the benzaldehyde core. This compound is particularly valuable in organic synthesis, serving as a key intermediate for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The pyrrolidine moiety enhances reactivity and offers opportunities for further functionalization, making it useful in heterocyclic chemistry and ligand design. Its structural features also contribute to applications in catalysis and materials science. The compound is typically characterized by high purity and stability under standard conditions, ensuring reliable performance in synthetic workflows. Proper handling and storage are recommended to maintain its integrity.
3-(1-Pyrrolidinyl)benzaldehyde structure
857283-89-7 structure
Product Name:3-(1-Pyrrolidinyl)benzaldehyde
CAS No:857283-89-7
MF:C11H13NO
MW:175.227022886276
MDL:MFCD07772825
CID:717710
PubChem ID:7164600
Update Time:2025-10-29

3-(1-Pyrrolidinyl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-(Pyrrolidin-1-yl)benzaldehyde
    • 3-(1-Pyrrolidinyl)benzaldehyde
    • 3-PYRROLIDIN-1-YLBENZALDEHYDE
    • Benzaldehyde,3-(1-pyrrolidinyl)-
    • 3-pyrrolidinylbenzaldehyde
    • KELYFFMWYRNGTF-UHFFFAOYSA-N
    • SBB089067
    • KM2353
    • VZ27246
    • SY003047
    • Y4312
    • ST24028360
    • A841432
    • Benzaldehyde, 3-(1-pyrrolidinyl)-
    • 3-PYRROLIDIN-1-YLBENZALDEHYDE ISO 9001:2015 REACH
    • 857283-89-7
    • DTXSID30428192
    • J-510967
    • AS-31264
    • SCHEMBL1443579
    • AC-2817
    • AKOS002391967
    • MFCD07772825
    • CS-0311902
    • DB-056880
    • MDL: MFCD07772825
    • Inchi: 1S/C11H13NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h3-5,8-9H,1-2,6-7H2
    • InChI Key: KELYFFMWYRNGTF-UHFFFAOYSA-N
    • SMILES: C(=O)C1=CC=CC(N2CCCC2)=C1

Computed Properties

  • Exact Mass: 175.10000
  • Monoisotopic Mass: 175.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 175
  • 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: 3
  • Topological Polar Surface Area: 20.3

Experimental Properties

  • Density: 1.125
  • Boiling Point: 322.0℃
  • Flash Point: 129.7℃
  • Refractive Index: 1.599
  • PSA: 20.31000
  • LogP: 2.16430
  • pka: 5.68±0.20(Predicted)

3-(1-Pyrrolidinyl)benzaldehyde Security Information

3-(1-Pyrrolidinyl)benzaldehyde Customs Data

  • HS CODE:2933998090

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Additional information on 3-(1-Pyrrolidinyl)benzaldehyde

Recent Advances in the Application of 3-(1-Pyrrolidinyl)benzaldehyde (CAS: 857283-89-7) in Chemical Biology and Pharmaceutical Research

3-(1-Pyrrolidinyl)benzaldehyde (CAS: 857283-89-7) is a versatile chemical intermediate that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its pyrrolidine-substituted benzaldehyde structure, serves as a key building block in the synthesis of various bioactive molecules. Recent studies have explored its utility in drug discovery, particularly in the development of novel therapeutic agents targeting neurological disorders, cancer, and infectious diseases.

One of the most notable advancements involving 3-(1-Pyrrolidinyl)benzaldehyde is its role in the synthesis of small-molecule inhibitors for protein-protein interactions (PPIs). PPIs are often considered challenging targets due to their large and flat interfaces, but recent research has demonstrated that derivatives of 3-(1-Pyrrolidinyl)benzaldehyde can effectively modulate these interactions. For instance, a 2023 study published in the Journal of Medicinal Chemistry reported the development of a series of PPI inhibitors derived from this compound, which showed promising activity against cancer-related targets such as MDM2-p53.

In addition to its applications in PPI modulation, 3-(1-Pyrrolidinyl)benzaldehyde has also been investigated as a precursor for the synthesis of fluorescent probes. These probes are valuable tools for studying biological processes in real-time, enabling researchers to visualize and quantify molecular events within living cells. A recent study in ACS Chemical Biology highlighted the use of this compound in the development of a novel fluorescent probe for detecting reactive oxygen species (ROS) in neuronal cells, providing insights into oxidative stress-related pathologies.

Another area of interest is the compound's potential in the design of covalent inhibitors. Covalent inhibitors, which form irreversible or reversible bonds with their target proteins, have gained traction in drug discovery due to their high potency and selectivity. Researchers have utilized 3-(1-Pyrrolidinyl)benzaldehyde as a scaffold to design covalent inhibitors for enzymes such as kinases and proteases. A 2022 publication in Nature Chemical Biology described the successful application of this strategy in developing inhibitors for Bruton's tyrosine kinase (BTK), a key target in B-cell malignancies.

Despite these promising developments, challenges remain in optimizing the pharmacokinetic and pharmacodynamic properties of 3-(1-Pyrrolidinyl)benzaldehyde-derived compounds. Issues such as poor solubility, metabolic instability, and off-target effects need to be addressed to fully realize their therapeutic potential. Recent efforts have focused on structural modifications and formulation strategies to overcome these limitations, as evidenced by a 2023 study in European Journal of Medicinal Chemistry that reported improved bioavailability of a derivative through prodrug design.

In conclusion, 3-(1-Pyrrolidinyl)benzaldehyde (CAS: 857283-89-7) continues to be a valuable tool in chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate, combined with its potential to yield bioactive molecules, makes it a compound of significant interest. Future research will likely explore its applications in emerging areas such as targeted protein degradation and immunotherapy, further expanding its impact on drug discovery and development.

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