Cas no 161089-94-7 (2-(cyclohexylmethyl)pentanoic acid)

2-(Cyclohexylmethyl)pentanoic acid is a branched-chain carboxylic acid featuring a cyclohexylmethyl substituent at the α-position of a pentanoic acid backbone. This structure imparts unique steric and electronic properties, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The cyclohexyl group enhances lipophilicity, which can influence solubility and binding characteristics in drug design. Its carboxylic acid functionality allows for further derivatization, such as esterification or amidation, enabling the production of specialized compounds. The compound’s stability under standard conditions and compatibility with common reagents make it a practical choice for research and industrial processes requiring tailored aliphatic acids.
2-(cyclohexylmethyl)pentanoic acid structure
161089-94-7 structure
Product Name:2-(cyclohexylmethyl)pentanoic acid
CAS No:161089-94-7
MF:C12H22O2
MW:198.301884174347
CID:4609035
PubChem ID:21251690
Update Time:2025-05-23

2-(cyclohexylmethyl)pentanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(cyclohexylmethyl)pentanoic acid
    • Inchi: 1S/C12H22O2/c1-2-6-11(12(13)14)9-10-7-4-3-5-8-10/h10-11H,2-9H2,1H3,(H,13,14)
    • InChI Key: QFRLVQNKXUNDHJ-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C(CC1CCCCC1)CCC

Computed Properties

  • Exact Mass: 198.161979940g/mol
  • Monoisotopic Mass: 198.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 171
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.0±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 312.7±10.0 °C at 760 mmHg
  • Flash Point: 150.0±10.3 °C
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

2-(cyclohexylmethyl)pentanoic acid Pricemore >>

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Additional information on 2-(cyclohexylmethyl)pentanoic acid

2-(Cyclohexylmethyl)Pentanoic Acid: A Comprehensive Overview

2-(Cyclohexylmethyl)pentanoic acid, also known by its CAS number 161089-94-7, is a versatile organic compound that has garnered significant attention in both academic and industrial research. This compound is characterized by its unique structure, which combines a cyclohexylmethyl group with a pentanoic acid backbone, making it a valuable molecule in various applications.

The cyclohexylmethyl group in this compound contributes to its stability and enhances its ability to interact with other molecules, particularly in biological systems. Recent studies have highlighted its potential as a precursor in the synthesis of bioactive compounds, including pharmaceuticals and agrochemicals. For instance, researchers have explored its role in the development of antimicrobial agents and anti-inflammatory drugs, where its structural properties play a crucial role in molecular interactions.

One of the most promising areas of research involving 2-(cyclohexylmethyl)pentanoic acid is its application in the synthesis of peptide-based drugs. The compound's ability to form stable amide bonds makes it an ideal building block for constructing complex peptide structures. Recent advancements in peptide chemistry have demonstrated how this compound can be used to create bioactive peptides with enhanced stability and efficacy, opening new avenues for drug development.

In addition to its role in drug synthesis, 2-(cyclohexylmethyl)pentanoic acid has also been investigated for its potential in the field of biodegradable polymers. Its ability to undergo polymerization under specific conditions has led to the creation of environmentally friendly materials that degrade naturally without harmful byproducts. This application aligns with the growing demand for sustainable solutions in materials science.

From a chemical synthesis perspective, the production of 2-(cyclohexylmethyl)pentanoic acid involves a multi-step process that typically begins with the preparation of the cyclohexylmethyl group. Recent innovations in catalytic processes have improved the efficiency and yield of this synthesis, making it more accessible for large-scale production. Researchers have also explored alternative routes, such as biocatalytic methods, which offer a greener approach to synthesizing this compound.

The physical and chemical properties of 2-(cyclohexylmethyl)pentanoic acid are equally noteworthy. Its melting point, boiling point, and solubility characteristics make it suitable for a wide range of applications. For example, its high solubility in organic solvents facilitates its use in organic reactions, while its stability under various conditions ensures its reliability as a raw material in industrial processes.

Moreover, the compound's ability to participate in various types of reactions, such as esterification and amidation, underscores its versatility as a chemical building block. Recent studies have also explored its role in click chemistry reactions, where it serves as a key component in the construction of complex molecular architectures.

Looking ahead, the continued exploration of 2-(cyclohexylmethyl)pentanoic acid is expected to yield even more innovative applications. Its potential as a platform molecule for drug discovery and material science suggests that it will remain a focal point for researchers across multiple disciplines.

In conclusion, 2-(cyclohexylmethyl)pentanoic acid (CAS No: 161089-94-7) is a multifaceted compound with significant implications for modern chemistry and beyond. Its unique structure, coupled with advancements in synthetic methods and application research, positions it as a key player in driving innovation across various industries.

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