Cas no 1489395-34-7 (3-ethyl-1-(2-methylpropyl)sulfanylcyclobutane-1-carboxylic acid)

3-Ethyl-1-(2-methylpropyl)sulfanylcyclobutane-1-carboxylic acid is a specialized cyclobutane derivative featuring a sulfanyl substituent and a carboxylic acid functional group. Its unique structure, combining a cyclobutane core with an ethyl and isobutylthio moiety, makes it a valuable intermediate in organic synthesis and medicinal chemistry. The compound's sterically hindered cyclobutane ring and thioether linkage contribute to its potential utility in the development of bioactive molecules, particularly in the design of enzyme inhibitors or ligands. The carboxylic acid group enhances its reactivity, allowing for further derivatization. This compound is suited for research applications requiring structurally constrained scaffolds with tunable physicochemical properties.
3-ethyl-1-(2-methylpropyl)sulfanylcyclobutane-1-carboxylic acid structure
1489395-34-7 structure
Product Name:3-ethyl-1-(2-methylpropyl)sulfanylcyclobutane-1-carboxylic acid
CAS No:1489395-34-7
MF:C11H20O2S
MW:216.340302467346
CID:6003202
PubChem ID:65137910
Update Time:2025-05-20

3-ethyl-1-(2-methylpropyl)sulfanylcyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-ethyl-1-(2-methylpropyl)sulfanylcyclobutane-1-carboxylic acid
    • 3-ethyl-1-[(2-methylpropyl)sulfanyl]cyclobutane-1-carboxylic acid
    • AKOS014471165
    • 1489395-34-7
    • EN300-1122470
    • Inchi: 1S/C11H20O2S/c1-4-9-5-11(6-9,10(12)13)14-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)
    • InChI Key: YTTFVLZMDMSXBI-UHFFFAOYSA-N
    • SMILES: S(CC(C)C)C1(C(=O)O)CC(CC)C1

Computed Properties

  • Exact Mass: 216.11840105g/mol
  • Monoisotopic Mass: 216.11840105g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 207
  • 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: 3.5
  • Topological Polar Surface Area: 62.6?2

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3-ethyl-1-(2-methylpropyl)sulfanylcyclobutane-1-carboxylic acid Related Literature

Additional information on 3-ethyl-1-(2-methylpropyl)sulfanylcyclobutane-1-carboxylic acid

3-Ethyl-1-(2-Methylpropyl)sulfanylcyclobutane-1-carboxylic Acid: A Comprehensive Overview

The compound 3-Ethyl-1-(2-Methylpropyl)sulfanylcyclobutane-1-carboxylic Acid (CAS No. 1489395-34-7) is a fascinating molecule with a unique structure and potential applications in various fields. This compound belongs to the class of cyclobutane derivatives, which have gained significant attention in organic chemistry due to their strained ring systems and reactivity. The presence of the sulfanyl group (-S-) and the carboxylic acid functional group further enhances its versatility, making it a subject of interest for both academic and industrial research.

Recent studies have highlighted the importance of cyclobutane derivatives in drug discovery and material science. The cyclobutane ring in this compound is known for its high strain energy, which can be harnessed to design molecules with specific pharmacokinetic properties. The sulfanyl group attached to the cyclobutane ring introduces additional electronic effects, potentially influencing the compound's reactivity and stability. This makes 3-Ethyl-1-(2-Methylpropyl)sulfanylcyclobutane-1-carboxylic Acid a promising candidate for exploring novel chemical reactions and synthetic pathways.

The synthesis of this compound involves a multi-step process, typically starting from readily available starting materials. Researchers have employed various strategies, including ring-closing metathesis and nucleophilic substitution reactions, to construct the cyclobutane core. The introduction of the sulfanyl group and the carboxylic acid functionality requires precise control over reaction conditions to ensure high yields and purity. Recent advancements in catalytic methods have further streamlined these processes, making large-scale synthesis more feasible.

One of the most intriguing aspects of this compound is its potential application in medicinal chemistry. The carboxylic acid group can serve as a bioisostere or a site for further functionalization, enabling the design of bioactive molecules with improved pharmacokinetic profiles. For instance, derivatives of this compound have been investigated for their ability to modulate enzyme activity or interact with specific biological targets, such as G-protein coupled receptors (GPCRs). These studies underscore the importance of understanding the relationship between molecular structure and biological activity.

In addition to its medicinal applications, 3-Ethyl-1-(2-Methylpropyl)sulfanylcyclobutane-1-carboxylic Acid has shown promise in materials science. The strained cyclobutane ring can be incorporated into polymers or supramolecular assemblies, contributing to unique mechanical or electronic properties. Recent research has explored its use as a building block for self-healing materials or stimuli-responsive systems, where the strain energy of the cyclobutane ring plays a critical role.

The physical properties of this compound are also worth noting. Its melting point, boiling point, and solubility characteristics are influenced by the interplay between the cyclobutane ring, sulfanyl group, and carboxylic acid functionality. These properties are essential for determining its suitability in various chemical processes and applications. For example, its solubility in organic solvents makes it an ideal candidate for solution-phase synthesis or formulation development.

From an environmental perspective, understanding the degradation pathways of 3-Ethyl-1-(2-Methylpropyl)sulfanylcyclobutane-1-carboxylic Acid is crucial for assessing its ecological impact. Recent studies have focused on its biodegradation under aerobic and anaerobic conditions, as well as its potential toxicity to aquatic organisms. These findings are essential for ensuring sustainable practices in chemical manufacturing and waste management.

In conclusion, 3-Ethyl-1-(2-Methylpropyl)sulfanylcyclobutane-1-carboxylic Acid (CAS No. 1489395-34-7) is a versatile compound with a rich structural complexity that offers numerous opportunities for research and development. Its unique combination of functional groups and strained ring system positions it as a valuable tool in organic synthesis, medicinal chemistry, and materials science. As researchers continue to explore its properties and applications, this compound is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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