Cas no 53432-87-4 (Ethyl 2-cyclopropylacetate)

Ethyl 2-cyclopropylacetate structure
Ethyl 2-cyclopropylacetate structure
Product Name:Ethyl 2-cyclopropylacetate
CAS No:53432-87-4
MF:C7H12O2
MW:128.168982505798
MDL:MFCD11976041
CID:89760
PubChem ID:12453023
Update Time:2025-07-22

Ethyl 2-cyclopropylacetate Chemical and Physical Properties

Names and Identifiers

    • Ethyl cyclopropaneacetate
    • Cyclopropaneacetic acid ethyl ester
    • Ethyl 2-cyclopropylacetate
    • Cyclopropylacetic acid ethyl ester
    • Cyclopropaneacetic acid, ethyl ester
    • ethyl cyclopropylacetate
    • Ethyl cyclopropaneacetate
    • AODPICOFZRYWKI-UHFFFAOYSA-N
    • NE56353
    • ST24046858
    • Z380123288
    • AS-48579
    • SY191891
    • MFCD11976041
    • AKOS009291418
    • PB42995
    • ETHYL2-CYCLOPROPYLACETATE
    • A870728
    • F51522
    • AC-29216
    • FT-0730626
    • EN300-75032
    • 53432-87-4
    • AMY4002
    • SCHEMBL2721040
    • CS-W000547
    • DA-34930
    • MDL: MFCD11976041
    • Inchi: 1S/C7H12O2/c1-2-9-7(8)5-6-3-4-6/h6H,2-5H2,1H3
    • InChI Key: AODPICOFZRYWKI-UHFFFAOYSA-N
    • SMILES: O(CC)C(CC1CC1)=O

Computed Properties

  • Exact Mass: 128.08376
  • Monoisotopic Mass: 128.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • 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: 1.5
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.006±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 157.8±8.0 oC (760 Torr),
  • Flash Point: 42.0±9.7 oC,
  • Refractive Index: 1.4205 (22 oC)
  • Solubility: Slightly soluble (2.9 g/l) (25 o C),
  • PSA: 37.3
  • LogP: 1.34960

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Ethyl 2-cyclopropylacetate Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:53432-87-4)Ethyl 2-cyclopropylacetate
Order Number:A870728
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:24
Price ($):242.0

Additional information on Ethyl 2-cyclopropylacetate

Recent Advances in the Application of Ethyl 2-cyclopropylacetate (CAS: 53432-87-4) in Chemical Biology and Pharmaceutical Research

Ethyl 2-cyclopropylacetate (CAS: 53432-87-4) has recently gained significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in drug synthesis and biological activity modulation. This compound, characterized by its cyclopropyl moiety and ester functionality, serves as a key intermediate in the synthesis of various bioactive molecules. Recent studies have explored its potential in the development of novel therapeutic agents, particularly in the areas of antimicrobial, anticancer, and anti-inflammatory drug discovery.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the efficacy of Ethyl 2-cyclopropylacetate derivatives as potent inhibitors of bacterial efflux pumps, addressing the growing concern of antibiotic resistance. The research team synthesized a series of analogs by modifying the ester group and cyclopropyl ring, resulting in compounds with enhanced activity against multidrug-resistant Staphylococcus aureus strains. The lead compound from this series showed a 16-fold improvement in potency compared to existing efflux pump inhibitors, with minimal cytotoxicity to human cells.

In the field of oncology, researchers have utilized Ethyl 2-cyclopropylacetate as a building block for the development of small molecule inhibitors targeting protein-protein interactions (PPIs) involved in cancer progression. A recent Nature Communications article (2024) described the rational design of cyclopropane-containing PPI inhibitors that disrupt the interaction between MDM2 and p53, leading to p53 stabilization and subsequent apoptosis in cancer cells. The unique spatial arrangement of the cyclopropyl group in these compounds was found to be critical for achieving high binding affinity and selectivity.

The synthetic utility of Ethyl 2-cyclopropylacetate has been further demonstrated in the preparation of chiral intermediates for asymmetric synthesis. A breakthrough reported in Angewandte Chemie (2023) presented a novel enzymatic resolution method for the production of enantiomerically pure (R)- and (S)-2-cyclopropylacetic acid derivatives using Ethyl 2-cyclopropylacetate as the starting material. This methodology offers significant advantages over traditional chemical approaches, including higher yields, milder reaction conditions, and improved environmental sustainability.

Recent advances in computational chemistry have enabled more efficient optimization of Ethyl 2-cyclopropylacetate-based drug candidates. Molecular docking studies and molecular dynamics simulations have provided valuable insights into the structure-activity relationships of cyclopropane-containing compounds, facilitating the design of more potent and selective therapeutic agents. These computational approaches, combined with experimental validation, have accelerated the drug discovery process while reducing development costs.

The safety profile and pharmacokinetic properties of Ethyl 2-cyclopropylacetate derivatives have been extensively investigated in preclinical studies. A comprehensive toxicological assessment published in Regulatory Toxicology and Pharmacology (2023) confirmed the favorable safety profile of several lead compounds derived from this scaffold, supporting their advancement to clinical trials. The metabolic stability and bioavailability of these compounds were found to be superior to similar structures lacking the cyclopropyl group, highlighting the importance of this structural feature in drug design.

Looking forward, the application of Ethyl 2-cyclopropylacetate in pharmaceutical research is expected to expand further, particularly in the development of targeted therapies and personalized medicine. Ongoing research is exploring its potential in the synthesis of PROTACs (proteolysis targeting chimeras) and other emerging therapeutic modalities. The unique physicochemical properties of the cyclopropyl ring continue to inspire innovative approaches to drug design, positioning Ethyl 2-cyclopropylacetate as a valuable tool in modern medicinal chemistry.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:53432-87-4)Ethyl 2-cyclopropylacetate
A870728
Purity:99%
Quantity:25g
Price ($):242.0
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