Cas no 1261999-80-7 (2-(2-chloro-5-methoxyphenyl)-5-methylbenzoic Acid)

2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic acid is a substituted benzoic acid derivative with potential applications in pharmaceutical and agrochemical research. Its molecular structure features a chloro-methoxyphenyl group and a methyl-substituted benzoic acid moiety, offering versatility as an intermediate in synthetic chemistry. The compound’s distinct substitution pattern may enhance binding affinity in target molecules, making it valuable for developing biologically active compounds. Its stability under standard conditions and well-defined reactivity profile facilitate its use in controlled synthetic pathways. Researchers may leverage this compound for its precise functional group compatibility in constructing complex molecular architectures. Analytical characterization is typically achieved via HPLC, NMR, and mass spectrometry, ensuring high purity for research applications.
2-(2-chloro-5-methoxyphenyl)-5-methylbenzoic Acid structure
1261999-80-7 structure
Product Name:2-(2-chloro-5-methoxyphenyl)-5-methylbenzoic Acid
CAS No:1261999-80-7
MF:C15H13ClO3
MW:276.714923620224
MDL:MFCD18321612
CID:1223369
PubChem ID:53227479
Update Time:2025-11-02

2-(2-chloro-5-methoxyphenyl)-5-methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-chloro-5-methoxyphenyl)-5-methylbenzoic Acid
    • DTXSID40691012
    • 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic acid, 95%
    • 2'-Chloro-5'-methoxy-4-methyl[1,1'-biphenyl]-2-carboxylic acid
    • MFCD18321612
    • 1261999-80-7
    • MDL: MFCD18321612
    • Inchi: 1S/C15H13ClO3/c1-9-3-5-11(13(7-9)15(17)18)12-8-10(19-2)4-6-14(12)16/h3-8H,1-2H3,(H,17,18)
    • InChI Key: VHRGLGGJVAUGEQ-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=C1C1C=CC(C)=CC=1C(=O)O)OC

Computed Properties

  • Exact Mass: 276.0553220g/mol
  • Monoisotopic Mass: 276.0553220g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 321
  • 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: 4
  • Topological Polar Surface Area: 46.5?2

2-(2-chloro-5-methoxyphenyl)-5-methylbenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328841-5 g
2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic acid, 95%; .
1261999-80-7 95%
5g
€1159.00 2023-04-26
abcr
AB328841-5g
2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic acid, 95%; .
1261999-80-7 95%
5g
€1159.00 2025-03-19

Additional information on 2-(2-chloro-5-methoxyphenyl)-5-methylbenzoic Acid

2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid (CAS No. 1261999-80-7): A Comprehensive Overview

2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid (CAS No. 1261999-80-7) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research and fine chemical synthesis. This compound, characterized by its unique molecular structure, serves as a key intermediate in the development of novel therapeutic agents and advanced materials. Its chloro-methoxy-phenyl and methylbenzoic acid moieties contribute to its distinct chemical properties, making it a valuable asset in modern synthetic chemistry.

The growing interest in 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid is driven by its potential applications in drug discovery, particularly in the design of small-molecule inhibitors and modulators. Researchers are increasingly exploring its utility in targeting specific biological pathways, aligning with the current trend towards precision medicine and personalized therapeutics. The compound's structural versatility allows for further derivatization, enabling the creation of libraries for high-throughput screening.

From a chemical perspective, 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid exhibits interesting physicochemical properties. The presence of both electron-donating (methoxy group) and electron-withdrawing (chloro substituent) groups on the phenyl ring creates a unique electronic environment that influences its reactivity. This characteristic makes it particularly valuable in Pd-catalyzed cross-coupling reactions, which are fundamental to modern organic synthesis methodologies.

The synthesis of 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid typically involves multi-step organic transformations, with careful control of reaction conditions to ensure high yield and purity. Current research focuses on developing more efficient synthetic routes, reflecting the pharmaceutical industry's emphasis on green chemistry principles and atom economy. These advancements address the increasing demand for sustainable chemical processes in line with global environmental concerns.

Analytical characterization of 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid employs advanced techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure the compound meets the stringent purity requirements for pharmaceutical applications, where even trace impurities can significantly impact biological activity. The compound typically appears as a white to off-white crystalline powder with well-defined melting characteristics.

In the context of current market trends, 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid represents part of the growing demand for specialized pharmaceutical intermediates. The global market for such compounds is expanding rapidly, driven by increased R&D investment in drug development and the continuous need for novel chemical entities. Suppliers are responding by improving production scalability while maintaining strict quality control standards.

Storage and handling of 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid require standard laboratory precautions for organic compounds. It should be kept in a cool, dry environment, protected from light and moisture to maintain stability. While not classified as hazardous under normal handling conditions, proper laboratory practices including the use of personal protective equipment are recommended when working with this chemical.

The future outlook for 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid appears promising, particularly as research continues to uncover new applications in medicinal chemistry. Its structural features make it a candidate for further investigation in various therapeutic areas, potentially contributing to the development of treatments for challenging medical conditions. The compound's versatility ensures it will remain relevant in the evolving landscape of chemical research and pharmaceutical innovation.

For researchers and manufacturers seeking high-quality 2-(2-Chloro-5-methoxyphenyl)-5-methylbenzoic Acid, it's essential to partner with reputable suppliers who can provide comprehensive analytical data and consistent batch-to-batch quality. The compound's growing importance in pharmaceutical development underscores the need for reliable sources of this valuable chemical building block.

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