Cas no 68850-10-2 (2-Ethylcyclopropanecarboxylic acid)

2-Ethylcyclopropanecarboxylic acid is a cyclopropane derivative featuring a carboxylic acid functional group and an ethyl substituent on the cyclopropane ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the preparation of fine chemicals and pharmaceuticals. Its strained cyclopropane ring enhances its utility in ring-opening reactions, while the carboxylic acid group allows for further functionalization. The compound is often employed in the development of agrochemicals, fragrances, and specialty materials due to its ability to introduce cyclopropane motifs into target molecules. Its stability and well-defined reactivity profile make it a reliable choice for synthetic applications.
2-Ethylcyclopropanecarboxylic acid structure
68850-10-2 structure
Product Name:2-Ethylcyclopropanecarboxylic acid
CAS No:68850-10-2
MF:C6H10O2
MW:114.142402172089
CID:502166
PubChem ID:12953792
Update Time:2025-10-29

2-Ethylcyclopropanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylic acid, 2-ethyl-
    • Ethylcyclopropane Carboxylic Acid
    • 2-ethylcyclopropane-1-carboxylic acid
    • 68850-10-2
    • AKOS005260263
    • (1S,2S)-2-ethylcyclopropanecarboxylic acid
    • 2-ethylcyclopropane-1-carboxylicacid
    • BS-52535
    • CS-0238141
    • SCHEMBL327121
    • AT12378
    • EN300-190550
    • (1R,2R)-2-Ethylcyclopropanecarboxylic acid
    • 2-ethylcyclopropanecarboxylic acid
    • SB74860
    • SB74869
    • 2324750-49-2
    • (1R,2S)-2-ethylcyclopropanecarboxylic acid
    • (1S,2R)-2-ethylcyclopropanecarboxylic acid
    • 2350515-55-6
    • trans-2-ethylcyclopropanecarboxylic acid
    • 2137136-35-5
    • 1923743-63-8
    • 2-Ethylcyclopropanecarboxylic acid
    • Inchi: 1S/C6H10O2/c1-2-4-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
    • InChI Key: NEZWQTAIJWQNHI-UHFFFAOYSA-N
    • SMILES: OC(C1CC1CC)=O

Computed Properties

  • Exact Mass: 114.06800
  • Monoisotopic Mass: 114.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 109
  • 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
  • XLogP3: 1.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 198.9±8.0 °C at 760 mmHg
  • Flash Point: 89.8±13.1 °C
  • PSA: 37.30000
  • LogP: 1.26120
  • Vapor Pressure: 0.1±0.8 mmHg at 25°C

2-Ethylcyclopropanecarboxylic acid Security Information

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2-Ethylcyclopropanecarboxylic acid Suppliers

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(CAS:68850-10-2)2-Ethylcyclopropanecarboxylic acid
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Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:24
Price ($):370.0

Additional information on 2-Ethylcyclopropanecarboxylic acid

Professional Introduction to 2-Ethylcyclopropanecarboxylic acid (CAS No: 68850-10-2)

2-Ethylcyclopropanecarboxylic acid, with the chemical formula C?H??O?, is a significant compound in the field of organic chemistry and pharmaceutical research. This cyclic ester derivative has garnered attention due to its unique structural properties and potential applications in drug development and material science. The compound’s molecular structure, featuring a cyclopropane ring substituted with an ethyl group and a carboxylic acid moiety, contributes to its distinctive reactivity and utility.

The CAS No 68850-10-2 uniquely identifies this substance in chemical databases and ensures precise classification and handling. Its synthesis typically involves the reaction of cyclopropanecarboxylic acid with ethylating agents under controlled conditions, highlighting the importance of meticulous reaction optimization to achieve high yields and purity. Recent advancements in catalytic processes have improved the efficiency of these synthetic routes, making 2-Ethylcyclopropanecarboxylic acid more accessible for industrial and research purposes.

One of the most compelling aspects of 2-Ethylcyclopropanecarboxylic acid is its role as a building block in medicinal chemistry. The cyclopropane ring is known for its strain energy, which can be exploited to enhance the bioactivity of attached molecules. Researchers have leveraged this property to design novel compounds with improved pharmacokinetic profiles. For instance, studies have demonstrated that derivatives of 2-Ethylcyclopropanecarboxylic acid exhibit promising antimicrobial and anti-inflammatory properties, making them candidates for further development into therapeutic agents.

Recent publications highlight the compound’s utility in the synthesis of heterocyclic compounds, which are prevalent in many bioactive molecules. The carboxylic acid group provides a versatile handle for further functionalization, enabling the creation of complex structures through esterification, amidation, or other transformations. This flexibility has spurred interest in 2-Ethylcyclopropanecarboxylic acid as a key intermediate in the development of new drugs targeting various diseases.

The chemical properties of 2-Ethylcyclopropanecarboxylic acid also make it valuable in material science applications. Its ability to form stable esters and amides has been explored in polymer chemistry, where it contributes to the development of novel materials with enhanced mechanical and thermal properties. Additionally, the compound’s solubility characteristics make it suitable for use in formulations requiring precise control over molecular interactions.

In terms of analytical chemistry, 2-Ethylcyclopropanecarboxylic acid has been utilized in method development for high-performance liquid chromatography (HPLC) and gas chromatography (GC) due to its well-defined retention times and detectable spectral fingerprints. These analytical techniques are crucial for quality control in pharmaceutical manufacturing, ensuring that impurities are minimized and product specifications are met consistently.

The pharmacological potential of 2-Ethylcyclopropanecarboxylic acid has been further explored through computational modeling and high-throughput screening assays. These approaches have identified several derivatives with enhanced binding affinity to target proteins, suggesting their suitability for drug discovery programs. Moreover, the compound’s structural motif has been incorporated into libraries designed for virtual screening, accelerating the identification of lead compounds with therapeutic relevance.

Environmental considerations also play a role in the study of 2-Ethylcyclopropanecarboxylic acid. Researchers are investigating sustainable synthetic routes that minimize waste generation and energy consumption. Green chemistry principles have guided efforts to develop catalytic systems that improve reaction efficiency while reducing environmental impact. Such initiatives align with global efforts to promote sustainable practices in chemical manufacturing.

The future prospects for 2-Ethylcyclopropanecarboxylic acid are promising, with ongoing research expanding its applications across multiple disciplines. As synthetic methodologies continue to evolve, new derivatives with tailored properties will likely emerge, further broadening its utility in pharmaceuticals, materials science, and beyond. Collaborative efforts between academia and industry will be essential to translate these discoveries into practical solutions that address societal needs.

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Amadis Chemical Company Limited
(CAS:68850-10-2)2-Ethylcyclopropanecarboxylic acid
A1047576
Purity:99%
Quantity:1g
Price ($):370.0
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