Cas no 948293-95-6 (5,7-Dimethylquinoline-3-carboxylic acid)

5,7-Dimethylquinoline-3-carboxylic acid is a quinoline derivative characterized by its carboxylic acid functional group at the 3-position and methyl substituents at the 5- and 7-positions. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and coordination chemistry. Its structural features, including the electron-rich quinoline core and carboxyl group, enable its use in metal-chelating applications and as a building block for heterocyclic compounds. The methyl groups enhance lipophilicity, potentially improving bioavailability in drug design. The product is typically supplied as a high-purity solid, ensuring consistent performance in synthetic applications. Proper handling and storage are recommended due to its reactive carboxylic acid moiety.
5,7-Dimethylquinoline-3-carboxylic acid structure
948293-95-6 structure
Product Name:5,7-Dimethylquinoline-3-carboxylic acid
CAS No:948293-95-6
MF:C12H11NO2
MW:201.221243143082
MDL:MFCD09787770
CID:1030194
PubChem ID:329773511
Update Time:2025-10-28

5,7-Dimethylquinoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5,7-Dimethylquinoline-3-carboxylic acid
    • MDL: MFCD09787770
    • Inchi: 1S/C12H11NO2/c1-7-3-8(2)10-5-9(12(14)15)6-13-11(10)4-7/h3-6H,1-2H3,(H,14,15)
    • InChI Key: ALHSWTYNMZHUGZ-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C2C=C(C)C=C(C)C2=C1)=O

Computed Properties

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

Experimental Properties

  • PSA: 50.19000
  • LogP: 2.54980

5,7-Dimethylquinoline-3-carboxylic acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

5,7-Dimethylquinoline-3-carboxylic 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 5,7-Dimethylquinoline-3-carboxylic acid

5,7-Dimethylquinoline-3-carboxylic Acid: A Comprehensive Overview

The compound with CAS No. 948293-95-6, commonly referred to as 5,7-Dimethylquinoline-3-carboxylic acid, is a significant molecule in the field of organic chemistry and pharmacology. This compound belongs to the quinoline family, which has been extensively studied due to its diverse applications in drug discovery and material science. The 5,7-Dimethylquinoline-3-carboxylic acid structure is characterized by a quinoline ring system with methyl groups at positions 5 and 7 and a carboxylic acid group at position 3. This unique arrangement imparts the molecule with distinct chemical and biological properties.

Recent studies have highlighted the potential of 5,7-Dimethylquinoline-3-carboxylic acid in various therapeutic areas. For instance, researchers have explored its role as a potential anticancer agent due to its ability to inhibit specific enzymes involved in tumor progression. The quinoline core of the molecule is known for its ability to interact with biological targets such as DNA and proteins, making it a promising scaffold for drug development. Additionally, the carboxylic acid group at position 3 enhances the molecule's solubility and bioavailability, which are critical factors in drug delivery.

The synthesis of 5,7-Dimethylquinoline-3-carboxylic acid involves a multi-step process that typically includes cyclization reactions and functional group transformations. One of the most efficient methods reported in recent literature involves the use of microwave-assisted synthesis, which significantly reduces reaction time while maintaining high yields. This approach not only streamlines the production process but also minimizes environmental impact, aligning with current green chemistry principles.

In terms of applications, 5,7-Dimethylquinoline-3-carboxylic acid has shown potential in the development of fluorescent sensors for detecting metal ions and other analytes. The quinoline moiety's inherent fluorescence properties can be modulated by the presence of substituents like methyl groups and carboxylic acids, enabling selective sensing capabilities. Furthermore, this compound has been investigated for its role in catalysis, where it serves as a ligand in transition metal complexes that facilitate various organic transformations.

Recent advancements in computational chemistry have provided deeper insights into the electronic structure and reactivity of 5,7-Dimethylquinoline-3-carboxylic acid. Density functional theory (DFT) calculations have revealed that the methyl groups at positions 5 and 7 stabilize certain reactive intermediates during catalytic cycles. This understanding has paved the way for optimizing reaction conditions and improving catalyst performance.

Another area of interest is the use of 5,7-Dimethylquinoline-3-carboxylic acid in materials science. Its ability to form self-assembled monolayers (SAMs) on surfaces has been exploited for creating advanced coatings with tailored properties. These SAMs exhibit excellent stability under harsh conditions and can be functionalized further to incorporate additional functionalities such as antimicrobial or conductive properties.

In conclusion, 5,7-Dimethylquinoline-3-carboxylic acid (CAS No. 948293-95-6) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure and favorable properties make it an attractive candidate for both academic research and industrial development. As ongoing studies continue to uncover new potentials for this molecule, it is poised to play an increasingly important role in advancing modern science and technology.

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