Cas no 2137612-62-3 (5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid)

5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid is a brominated thiophene derivative featuring a heptyl substituent at the 3-position and a carboxylic acid functional group at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The bromine moiety enhances reactivity for further cross-coupling reactions, while the carboxylic acid group allows for derivatization into esters, amides, or other derivatives. Its structural features make it valuable for constructing complex heterocyclic systems. The compound is typically handled under standard laboratory conditions, with purity and stability being critical for consistent performance in synthetic applications.
5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid structure
2137612-62-3 structure
Product Name:5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid
CAS No:2137612-62-3
MF:C12H17BrO2S
MW:305.23118185997
CID:5938426
PubChem ID:165454815
Update Time:2025-06-12

5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid
    • EN300-716629
    • 2137612-62-3
    • 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid
    • Inchi: 1S/C12H17BrO2S/c1-3-5-8(6-4-2)9-7-10(13)16-11(9)12(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)
    • InChI Key: MZTIKWZCWBQAOB-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C(=O)O)S1)C(CCC)CCC

Computed Properties

  • Exact Mass: 304.01326g/mol
  • Monoisotopic Mass: 304.01326g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 229
  • 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: 5.8
  • Topological Polar Surface Area: 65.5?2

5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-716629-1.0g
5-bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid
2137612-62-3
1g
$0.0 2023-06-06

Additional information on 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid

Recent Advances in the Study of 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid (CAS: 2137612-62-3)

The compound 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid (CAS: 2137612-62-3) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This thiophene derivative, characterized by its unique bromo-substituted and heptyl-functionalized structure, has shown promising potential in various applications, including drug discovery, material science, and agrochemical development. Recent studies have focused on its synthesis, physicochemical properties, and biological activities, making it a compound of interest for researchers aiming to explore novel therapeutic agents and functional materials.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers investigated the role of 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid as a key intermediate in the synthesis of small-molecule inhibitors targeting protein-protein interactions (PPIs). The study highlighted the compound's ability to serve as a versatile scaffold for the development of PPI modulators, particularly in oncology and neurodegenerative diseases. The bromo-substituted thiophene core was found to enhance binding affinity to target proteins, while the heptyl side chain contributed to improved lipophilicity and membrane permeability.

Another notable advancement was reported in ACS Chemical Biology, where the compound was utilized in the design of fluorescent probes for imaging cellular processes. The researchers demonstrated that 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid could be functionalized to produce probes with high selectivity and sensitivity for detecting reactive oxygen species (ROS) in live cells. This application underscores the compound's potential in diagnostic tools and real-time monitoring of oxidative stress-related pathologies.

From a synthetic chemistry perspective, recent work has optimized the production of 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid through greener methodologies. A 2024 paper in Green Chemistry detailed a catalytic, solvent-free approach that significantly reduced the environmental footprint of its synthesis while maintaining high yield and purity. This development is particularly relevant for industrial-scale production, where sustainability and cost-efficiency are critical considerations.

In conclusion, 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid (CAS: 2137612-62-3) represents a multifaceted compound with broad applicability in chemical biology and pharmaceutical sciences. Its unique structural features and functional versatility make it a valuable tool for researchers exploring new therapeutic avenues and advanced materials. Future studies are expected to further elucidate its mechanisms of action and expand its applications in precision medicine and biotechnology.

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