Cas no 959585-30-9 (2-(Quinolin-6-yl)propanoic acid)

2-(Quinolin-6-yl)propanoic acid is a quinoline-derived carboxylic acid with applications in pharmaceutical and organic synthesis. Its structure combines a quinoline scaffold with a propanoic acid moiety, offering versatility as an intermediate in the development of bioactive compounds. The quinoline core provides a rigid aromatic framework, while the carboxylic acid group enables further functionalization through esterification, amidation, or metal coordination. This compound is particularly valuable in medicinal chemistry for designing potential drug candidates, owing to its ability to interact with biological targets. High purity and well-defined synthetic routes ensure reproducibility in research settings. Its stability under standard conditions makes it suitable for storage and handling in laboratory environments.
2-(Quinolin-6-yl)propanoic acid structure
959585-30-9 structure
Product Name:2-(Quinolin-6-yl)propanoic acid
CAS No:959585-30-9
MF:C12H11NO2
MW:201.221243143082
MDL:MFCD11110964
CID:819843
PubChem ID:19036006
Update Time:2025-10-30

2-(Quinolin-6-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Quinolin-6-yl)propanoic acid
    • alpha-Methyl-6-quinolineacetic acid
    • 2-(Quinolin-6-yl)propanoic acid alpha-Methyl-6-quinolineacetic acid
    • 2-quinolin-6-ylpropanoic acid
    • 2-(6-quinolinyl)propanoic acid
    • 2-(6-quinolyl)propanoic acid
    • 2-quinolin-6-ylpropionic acid
    • MDL: MFCD11110964
    • Inchi: InChI=1S/C12H11NO2/c1-8(12(14)15)9-4-5-11-10(7-9)3-2-6-13-11/h2-8H,1H3,(H,14,15)
    • InChI Key: PZEAPGRLLGDEEL-UHFFFAOYSA-N
    • SMILES: CC(C1=CC2=C(C=C1)N=CC=C2)C(=O)O

Computed Properties

  • Exact Mass: 201.07900
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2

Experimental Properties

  • Density: 1.246
  • PSA: 50.19000
  • LogP: 2.42290

2-(Quinolin-6-yl)propanoic acid Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2-(Quinolin-6-yl)propanoic acid

Professional Introduction to 2-(Quinolin-6-yl)propanoic acid (CAS No. 959585-30-9)

2-(Quinolin-6-yl)propanoic acid, identified by its Chemical Abstracts Service (CAS) number 959585-30-9, is a significant compound in the field of chemical and biomedical research. This compound has garnered attention due to its unique structural properties and potential applications in drug discovery and therapeutic development. The quinoline moiety, a well-known pharmacophore, contributes to the compound's biological activity, making it a valuable scaffold for designing novel pharmaceutical agents.

The molecular structure of 2-(Quinolin-6-yl)propanoic acid consists of a propionic acid side chain attached to a quinoline ring at the 6-position. This configuration allows for diverse interactions with biological targets, which is crucial for developing effective therapeutic interventions. The quinoline ring is particularly noteworthy for its presence in numerous bioactive molecules, including antimalarial and anticancer agents. The combination of the quinoline moiety with the propanoic acid group creates a versatile platform for further chemical modifications, enabling the synthesis of derivatives with enhanced pharmacological properties.

In recent years, there has been a surge in research focused on quinoline derivatives due to their broad spectrum of biological activities. Studies have demonstrated that compounds containing the quinoline scaffold exhibit potent effects on various biological pathways, including enzyme inhibition and receptor binding. For instance, recent investigations have highlighted the potential of quinoline-based molecules in targeting kinases and other enzymes involved in cancer progression. 2-(Quinolin-6-yl)propanoic acid has been explored as a precursor in the synthesis of such derivatives, offering a promising route to develop novel anticancer agents.

The propanoic acid moiety in 2-(Quinolin-6-yl)propanoic acid provides an additional site for functionalization, allowing researchers to tailor the compound's properties for specific applications. This flexibility has been exploited in the design of prodrugs and targeted delivery systems, where the propanoic acid group can be modified to enhance solubility or improve tissue penetration. Such modifications are critical for optimizing drug bioavailability and therapeutic efficacy.

Moreover, the compound's structural features make it an attractive candidate for use in computational modeling and virtual screening. Advanced computational techniques have been employed to predict the binding affinity of 2-(Quinolin-6-yl)propanoic acid and its derivatives to various biological targets. These studies have provided valuable insights into the compound's mechanism of action and have guided the design of more potent and selective pharmacological agents.

The synthesis of 2-(Quinolin-6-yl)propanoic acid involves multi-step organic reactions that require precise control over reaction conditions. Recent advancements in synthetic methodologies have enabled more efficient and scalable production of this compound. For example, catalytic asymmetric synthesis has been utilized to introduce chirality into the molecule, which is essential for developing enantiomerically pure pharmaceuticals with improved pharmacokinetic profiles.

In conclusion, 2-(Quinolin-6-yl)propanoic acid (CAS No. 959585-30-9) represents a significant advancement in chemical and biomedical research. Its unique structural features and potential applications in drug discovery make it a valuable compound for further investigation. As research continues to uncover new therapeutic targets and develop innovative synthetic strategies, compounds like 2-(Quinolin-6-yl)propanoic acid are poised to play a crucial role in the development of next-generation pharmaceuticals.

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