Cas no 64740-38-1 (3-(4-methylcyclohex-3-en-1-yl)butanoic acid)

3-(4-Methylcyclohex-3-en-1-yl)butanoic acid is a cyclohexene derivative with a carboxylic acid functional group, offering versatility in organic synthesis and industrial applications. Its structure, featuring a methyl-substituted cyclohexene ring and a butanoic acid side chain, makes it a valuable intermediate for pharmaceuticals, fragrances, and specialty chemicals. The compound’s reactive sites enable further functionalization, such as esterification or amidation, enhancing its utility in fine chemical production. Its stability under standard conditions ensures ease of handling and storage. The product is typically supplied with high purity, meeting rigorous industry standards for consistency and performance in synthetic workflows.
3-(4-methylcyclohex-3-en-1-yl)butanoic acid structure
64740-38-1 structure
Product Name:3-(4-methylcyclohex-3-en-1-yl)butanoic acid
CAS No:64740-38-1
MF:C11H18O2
MW:182.259423732758
MDL:MFCD20641184
CID:524296
PubChem ID:6454955
Update Time:2026-04-29

3-(4-methylcyclohex-3-en-1-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Cyclohexene-1-propanoicacid, b,4-dimethyl-
    • 3-(4-methylcyclohex-3-en-1-yl)butanoic acid
    • beta,4-dimethylcyclohex-3-ene-1-propionic acid
    • MDL: MFCD20641184

Computed Properties

  • Exact Mass: 182.13068
  • Monoisotopic Mass: 182.13068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Density: 1.007
  • Boiling Point: 297.1°C at 760 mmHg
  • Flash Point: 194.2°C
  • Refractive Index: 1.486

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3-(4-methylcyclohex-3-en-1-yl)butanoic acid Related Literature

Additional information on 3-(4-methylcyclohex-3-en-1-yl)butanoic acid

3-(4-Methylcyclohex-3-en-1-yl)butanoic Acid: A Comprehensive Overview

3-(4-Methylcyclohex-3-en-1-yl)butanoic acid, identified by the CAS number 64740-38-1, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, with its unique structure, has garnered attention due to its potential applications in drug discovery and material science. The molecule consists of a butanoic acid group attached to a substituted cyclohexene ring, which imparts it with distinctive chemical properties.

The structure of 3-(4-methylcyclohex-3-en-1-yl)butanoic acid is characterized by a cyclohexene ring with a methyl substituent at the 4-position and a double bond between carbons 3 and 4. The butanoic acid group is attached at the 1-position of the cyclohexene ring. This arrangement creates a molecule with both hydrophobic and hydrophilic regions, making it versatile for various chemical reactions and biological interactions.

Recent studies have highlighted the potential of this compound in pharmacological applications. Researchers have explored its role as a precursor in the synthesis of bioactive molecules, including antibiotics and anti-inflammatory agents. The cyclohexene ring's reactivity has been particularly useful in constructing complex molecular frameworks, which are essential for drug development.

In terms of synthesis, 3-(4-methylcyclohex-3-en-1-yl)butanoic acid can be prepared through several routes, including alkylation and coupling reactions. These methods leverage the molecule's functional groups to facilitate efficient construction of the desired structure. The choice of synthetic pathway often depends on the availability of starting materials and the desired scale of production.

The physical properties of this compound are also noteworthy. It has a melting point of approximately 85°C and is sparingly soluble in water, making it suitable for applications that require controlled release or targeted delivery systems. Its stability under various conditions has been tested, showing promise for use in both laboratory settings and industrial processes.

From an environmental perspective, understanding the biodegradability and toxicity of 3-(4-methylcyclohex-3-en-1-yl)butanoic acid is crucial. Preliminary studies suggest that it undergoes moderate biodegradation under aerobic conditions, which aligns with current eco-friendly trends in chemical manufacturing. However, further research is needed to fully assess its environmental impact.

In conclusion, 3-(4-methylcyclohex-3-en-1-yl)butanoic acid (CAS No. 64740-38-1) represents a valuable compound with diverse applications across multiple disciplines. Its unique structure, coupled with recent advancements in synthetic methodologies and pharmacological studies, positions it as a key player in future innovations within the chemical sciences.

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