Cas no 752135-41-4 (7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid)

7-Chloro-3-methylbenzo[b]thiophene-2-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a benzo[b]thiophene core substituted with a chloro group at the 7-position and a methyl group at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural framework is valuable for constructing biologically active molecules due to the reactivity of the carboxylic acid moiety and the electronic influence of the chloro and methyl substituents. The product exhibits high purity and stability, making it suitable for precision applications in medicinal chemistry and material science. Its well-defined structure ensures consistent performance in synthetic routes.
7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid structure
752135-41-4 structure
Product Name:7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid
CAS No:752135-41-4
MF:C10H7ClO2S
MW:226.679380655289
MDL:MFCD11104814
CID:1095381
PubChem ID:43155170
Update Time:2025-05-20

7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 7-Chloro-3-methylbenzo[b]thiophene-2-carboxylic acid
    • 7-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
    • CS-0187822
    • JXEJPBOIKNNLQX-UHFFFAOYSA-N
    • 7-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-CARBOXYLICACID
    • AKOS009327015
    • AS-42849
    • CFB13541
    • SCHEMBL2897560
    • MFCD11104814
    • EN300-225517
    • 752135-41-4
    • DB-400084
    • 7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid
    • MDL: MFCD11104814
    • Inchi: 1S/C10H7ClO2S/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)
    • InChI Key: JXEJPBOIKNNLQX-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1SC(C(=O)O)=C2C

Computed Properties

  • Exact Mass: 225.9855283g/mol
  • Monoisotopic Mass: 225.9855283g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 246
  • 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: 3.8
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 411.7±40.0 °C at 760 mmHg
  • Flash Point: 202.8±27.3 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid Security Information

7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid Pricemore >>

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7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid Related Literature

Additional information on 7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid

7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid: A Comprehensive Overview

7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid, identified by the CAS Registry Number 752135-41-4, is a fascinating compound that has garnered significant attention in the fields of organic chemistry, materials science, and pharmacology. This compound belongs to the class of benzo[b]thiophene derivatives, which are known for their unique electronic properties and potential applications in various industries. The structure of this compound consists of a benzo[b]thiophene ring system with a chlorine substituent at the 7-position, a methyl group at the 3-position, and a carboxylic acid group at the 2-position. These functional groups contribute to its distinctive chemical reactivity and physical properties.

The synthesis of 7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid involves a series of carefully designed organic reactions. Recent studies have focused on optimizing the synthesis pathways to enhance yield and purity. For instance, researchers have explored the use of transition metal catalysts, such as palladium complexes, to facilitate coupling reactions. These advancements have not only improved the efficiency of synthesis but also opened new avenues for modifying the structure of benzo[b]thiophene derivatives for specific applications.

One of the most promising applications of this compound lies in its potential as a building block for advanced materials. The benzo[b]thiophene framework is known for its ability to form self-assembled monolayers and nanostructures, which are highly sought after in nanotechnology. Recent research has demonstrated that incorporating chlorine and methyl substituents can significantly influence the electronic properties of these materials. For example, studies have shown that 7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid can be used to create high-performance organic semiconductors with improved charge transport properties.

In addition to its role in materials science, this compound has also been investigated for its potential in drug discovery. The carboxylic acid group at the 2-position makes it an ideal candidate for forming bioactive esters and amides, which are commonly used in pharmaceuticals. Recent findings suggest that derivatives of this compound may exhibit anti-inflammatory and antioxidant activities. For instance, a study published in 2023 reported that certain analogs of 7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid demonstrated potent inhibitory effects on inflammatory enzymes, making them promising leads for developing new therapeutic agents.

The environmental impact of synthesizing and using 7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid has also been a topic of interest. Researchers are exploring green chemistry approaches to minimize waste and reduce the environmental footprint of its production. For example, solvent-free reactions and catalytic processes are being developed to enhance sustainability. These efforts align with global initiatives to promote eco-friendly chemical practices while maintaining high standards of product quality.

In conclusion, 7-Chloro-3-methylbenzoBthiophene-2-carboxylic Acid, with its unique structure and versatile functional groups, continues to be a subject of intense research across multiple disciplines. From optimizing synthesis methods to exploring novel applications in materials science and pharmacology, this compound represents a valuable asset in modern chemistry. As advancements in synthetic techniques and computational modeling continue to unfold, it is likely that new insights into its properties and potential uses will emerge, further solidifying its importance in both academic and industrial settings.

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