Cas no 135070-69-8 ([1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-)

[1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-, is a biphenyl derivative featuring a carboxylic acid group at the 2-position and substituted with methoxy and methyl groups at the 4- and 4'-positions, respectively. This compound is valuable in organic synthesis, particularly as an intermediate in pharmaceuticals and advanced material development. Its biphenyl core provides structural rigidity, while the electron-donating methoxy and methyl groups enhance its reactivity in coupling reactions. The carboxylic acid functionality allows for further derivatization, making it versatile for constructing complex molecules. High purity and well-defined substitution patterns ensure consistent performance in research and industrial applications. Suitable for use under controlled conditions, it is handled with standard laboratory precautions.
[1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl- structure
135070-69-8 structure
Product Name:[1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-
CAS No:135070-69-8
MF:C15H14O3
MW:242.269864559174
MDL:MFCD12859266
CID:1237617
PubChem ID:22418064
Update Time:2025-06-13

[1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-
    • 5-methoxy-2-(4-methylphenyl)benzoic acid
    • 135070-69-8
    • DTXSID00625616
    • 5-Methoxy-2-(4-methylphenyl)benzoic acid, 95%
    • 4-Methoxy-4'-methyl[1,1'-biphenyl]-2-carboxylic acid
    • MFCD12859266
    • AKOS005821221
    • SCHEMBL6492271
    • MDL: MFCD12859266
    • Inchi: 1S/C15H14O3/c1-10-3-5-11(6-4-10)13-8-7-12(18-2)9-14(13)15(16)17/h3-9H,1-2H3,(H,16,17)
    • InChI Key: TWWOEXVZOBUJTL-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=C(C(=O)O)C=1)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 242.094294304g/mol
  • Monoisotopic Mass: 242.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 282
  • 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: 3.4
  • Topological Polar Surface Area: 46.5?2

[1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB325880-5 g
5-Methoxy-2-(4-methylphenyl)benzoic acid, 95%; .
135070-69-8 95%
5g
€1159.00 2023-04-26
abcr
AB325880-5g
5-Methoxy-2-(4-methylphenyl)benzoic acid, 95%; .
135070-69-8 95%
5g
€1159.00 2024-06-08

Additional information on [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-

Introduction to [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl- (CAS No. 135070-69-8)

[1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl- (CAS No. 135070-69-8) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, characterized by its biphenyl core structure with methoxy and methyl substituents, exhibits unique chemical properties that make it a valuable intermediate in the synthesis of various bioactive molecules.

The molecular structure of this compound consists of two benzene rings connected by a single carbon-carbon bond, with one ring substituted at the 2-position by a carboxylic acid group and at the 4-position by a methoxy group. The other ring is substituted at the 4-position by a methyl group. This specific arrangement of functional groups imparts distinct reactivity and interaction capabilities, making it a versatile building block in medicinal chemistry.

In recent years, [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl- has been extensively studied for its potential applications in drug development. Its biphenyl core is a common motif in many pharmaceuticals due to its ability to enhance binding affinity and metabolic stability. The presence of both carboxylic acid and methoxy groups provides multiple sites for further functionalization, allowing chemists to tailor the compound for specific biological targets.

One of the most compelling aspects of this compound is its role in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in many cellular processes, and their dysregulation is often associated with various diseases, including cancer. By designing molecules that selectively inhibit specific kinases, researchers can develop targeted therapies with improved efficacy and reduced side effects. [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-, with its rigid biphenyl backbone and functionalized side chains, serves as an excellent scaffold for such inhibitors.

Recent studies have demonstrated the compound's utility in the development of small-molecule inhibitors for tyrosine kinases. These kinases are particularly relevant in cancer therapy due to their involvement in cell proliferation and survival signaling pathways. Researchers have leveraged the structural features of [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-, including its ability to form hydrogen bonds and hydrophobic interactions with target proteins, to design highly potent and selective inhibitors.

The methoxy group at the 4-position of one biphenyl ring and the methyl group at the same position on the other ring contribute to the compound's overall solubility and bioavailability. These substituents also influence the electronic properties of the molecule, affecting its reactivity and interaction with biological targets. By carefully modulating these groups, chemists can optimize the compound's pharmacokinetic profile and therapeutic potential.

In addition to its applications in kinase inhibition, [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-, has shown promise in other areas of pharmaceutical research. For instance, it has been explored as a precursor in the synthesis of antiviral agents. The biphenyl core's ability to interact with viral proteases and polymerases makes it an attractive scaffold for developing novel antiviral drugs. Furthermore, its structural versatility allows for modifications that can enhance drug resistance profiles.

The compound's role in material science is also noteworthy. Its rigid structure and functional groups make it suitable for use as a building block in the development of advanced materials such as liquid crystals and organic semiconductors. These materials have applications in display technologies, optoelectronics, and other high-tech industries.

The synthesis of [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-, involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions are often employed to construct the biphenyl core efficiently. The introduction of functional groups like carboxylic acid and methoxy groups requires careful selection of reagents and catalysts to ensure high yield and purity.

Quality control is paramount when working with this compound due to its critical applications in pharmaceuticals. Analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) are used to confirm the compound's identity and purity. These methods provide detailed information about the molecular structure and help ensure that the final product meets stringent quality standards.

The future prospects for [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-, are promising given its diverse applications across multiple fields. Ongoing research aims to expand its utility in drug development by exploring new synthetic routes and functionalization strategies. Collaborative efforts between chemists, biologists, and pharmacologists will be essential in realizing these goals.

In conclusion, [1,1'-Biphenyl]-2-carboxylic acid, 4-methoxy-4'-methyl-, CAS No. 135070-69-8 is a multifaceted compound with significant potential in pharmaceuticals、material science,and other areas of research。 Its unique structural features make it an invaluable tool for developing novel therapeutics,advanced materials,and innovative technologies。

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