Cas no 62614-48-6 (4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylicacid)

4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylic acid is a chiral biphenyl derivative featuring a stereogenic center at the 2-position of the alkyl side chain. This compound is of interest in synthetic and medicinal chemistry due to its structural rigidity and potential as a building block for asymmetric synthesis or ligand design. The carboxylic acid functionality allows for further derivatization, while the (2S)-2-methylbutyl group introduces steric and electronic modulation, which may influence molecular recognition or binding properties. Its well-defined stereochemistry makes it valuable for applications requiring enantioselectivity, such as chiral catalysts or pharmaceutical intermediates. The biphenyl core provides stability and conjugation, enhancing its utility in materials science or bioactive molecule development.
4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylicacid structure
62614-48-6 structure
Product Name:4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylicacid
CAS No:62614-48-6
MF:C18H20O2
MW:268.350205421448
CID:57897
PubChem ID:1490321
Update Time:2025-08-05

4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylicacid Chemical and Physical Properties

Names and Identifiers

    • 4'-[(2S)-2-Methylbutyl]-[1,1'-biphenyl]-4-carboxylic acid
    • [1,1'-BIPHENYL]-4-CARBOXYLIC ACID,4'-[(2S)-2-METHYLBUTYL]
    • 4'-[(2S)-2-Methylbutyl]-4-biphenylcarboxylic acid
    • (S)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-carboxylic acid
    • 62614-48-6
    • 4-[4-[(2S)-2-methylbutyl]phenyl]benzoic acid
    • SCHEMBL9335694
    • 4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylicacid
    • Inchi: 1S/C18H20O2/c1-3-13(2)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(19)20/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m0/s1
    • InChI Key: CCLVGHDFLATNLC-ZDUSSCGKSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1C=CC(=CC=1)C[C@@H](C)CC)=O

Computed Properties

  • Exact Mass: 268.146
  • Monoisotopic Mass: 268.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 297
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 5.2

Experimental Properties

  • Density: 1.073
  • Boiling Point: 419.9 °C at 760 mmHg
  • Flash Point: 419.9 °C at 760 mmHg

4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylicacid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
S236515-2.5mg
4'-[(2S)-2-Methylbutyl]-[1,1'-biphenyl]-4-carboxylicacid
62614-48-6
2.5mg
$ 200.00 2022-06-03
TRC
S236515-5mg
4'-[(2S)-2-Methylbutyl]-[1,1'-biphenyl]-4-carboxylicacid
62614-48-6
5mg
$ 370.00 2022-06-03
TRC
S236515-10mg
4'-[(2S)-2-Methylbutyl]-[1,1'-biphenyl]-4-carboxylicacid
62614-48-6
10mg
$ 585.00 2022-06-03

Additional information on 4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylicacid

Comprehensive Overview of 4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylic acid (CAS No. 62614-48-6)

4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylic acid (CAS No. 62614-48-6) is a chiral biphenyl derivative with significant applications in pharmaceutical and material science research. This compound, characterized by its 2-methylbutyl side chain and carboxylic acid functional group, has garnered attention for its potential in drug development and organic synthesis. Its unique stereochemistry and structural features make it a valuable intermediate for designing bioactive molecules.

The growing interest in chiral compounds like 4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylic acid aligns with the pharmaceutical industry's focus on enantioselective synthesis. Researchers are increasingly exploring such molecules for their ability to improve drug efficacy and reduce side effects. With the rise of personalized medicine and targeted therapies, this compound's role in developing small-molecule inhibitors and bioconjugates is being actively investigated.

From a synthetic chemistry perspective, CAS No. 62614-48-6 serves as a versatile building block. Its biphenyl core provides rigidity, while the carboxylic acid group allows for further functionalization through amidation, esterification, or other coupling reactions. Recent publications highlight its utility in creating liquid crystal materials and organic semiconductors, addressing the demand for advanced materials in display technologies and flexible electronics.

Analytical characterization of 4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylic acid typically involves techniques like HPLC, NMR, and mass spectrometry to confirm its purity and stereochemical integrity. The compound's logP and solubility profile make it particularly interesting for formulation scientists working on drug delivery systems. These properties are frequently searched by researchers optimizing bioavailability of lead compounds.

In the context of green chemistry trends, synthetic routes to 62614-48-6 are being reevaluated to minimize environmental impact. Recent advances in catalytic asymmetric synthesis and flow chemistry have shown promise for more sustainable production of this and related biphenyl derivatives. This aligns with the pharmaceutical industry's commitment to Process Intensification and waste reduction.

The compound's stability under various conditions is another area of active investigation. Thermal analysis studies (DSC and TGA) of 4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylic acid provide valuable data for process chemists developing scale-up protocols. Such information is crucial for technology transfer from laboratory to pilot plant scale, a common challenge in API manufacturing.

Patent literature reveals growing intellectual property activity surrounding biphenyl carboxylic acid derivatives, particularly in applications related to inflammatory diseases and metabolic disorders. The specific (2S)-2-methylbutyl configuration of CAS 62614-48-6 appears in several patent claims, highlighting its pharmacological relevance. This has led to increased searches for structure-activity relationships involving this scaffold.

From a regulatory standpoint, 4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylic acid requires proper handling as per standard laboratory safety protocols. While not classified as hazardous, appropriate PPE should be used when working with this compound, especially during weighing operations and solvent handling. These safety considerations are frequently queried by new researchers in online forums and databases.

The global market for fine chemicals like 62614-48-6 continues to expand, driven by demand from contract research organizations and academic laboratories. Suppliers are increasingly offering this compound with detailed certificates of analysis and stability data, responding to customer needs for reliable research materials. This trend reflects the broader movement toward reproducible science in chemical research.

Future research directions for 4'-(2S)-2-Methylbutyl-1,1'-biphenyl-4-carboxylic acid may explore its potential in proteolysis targeting chimeras (PROTACs) and other degrader technologies. The compound's structural features make it a candidate for linker design in these emerging therapeutic modalities. Such applications are generating significant interest in both medicinal chemistry circles and investment communities.

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