Cas no 59698-18-9 (benzyl 2-cyclopropylacetate)

Benzyl 2-cyclopropylacetate is a versatile ester compound characterized by its cyclopropyl functional group and benzyl ester moiety. This structure imparts unique reactivity and stability, making it valuable in organic synthesis and pharmaceutical applications. The cyclopropyl ring enhances steric and electronic properties, while the benzyl group offers ease of deprotection under mild conditions. It serves as a key intermediate in the preparation of bioactive molecules, fragrances, and specialty chemicals. Its well-defined purity and consistent performance ensure reliable results in research and industrial processes. The compound's balanced lipophilicity and synthetic flexibility make it a preferred choice for fine chemical and medicinal chemistry applications.
benzyl 2-cyclopropylacetate structure
benzyl 2-cyclopropylacetate structure
Product Name:benzyl 2-cyclopropylacetate
CAS No:59698-18-9
MF:C12H14O2
MW:190.238363742828
MDL:MFCD11976040
CID:337541
PubChem ID:11074205
Update Time:2025-10-08

benzyl 2-cyclopropylacetate Chemical and Physical Properties

Names and Identifiers

    • Cyclopropaneacetic acid, phenylmethyl ester
    • benzyl 2-cyclopropylacetate
    • Phenylmethyl Cyclopropylacetate
    • 59698-18-9
    • DTXSID80454244
    • SY126755
    • FT-0757648
    • MFCD11976040
    • BS-29234
    • W11717
    • SCHEMBL4143101
    • Benzyl2-cyclopropylacetate
    • VKLVFPVAJRYENM-UHFFFAOYSA-N
    • DA-35125
    • MDL: MFCD11976040
    • Inchi: 1S/C12H14O2/c13-12(8-10-6-7-10)14-9-11-4-2-1-3-5-11/h1-5,10H,6-9H2
    • InChI Key: VKLVFPVAJRYENM-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(CC1CC1)=O

Computed Properties

  • Exact Mass: 190.09942
  • Monoisotopic Mass: 190.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 191
  • 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
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

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benzyl 2-cyclopropylacetate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:59698-18-9)benzyl 2-cyclopropylacetate
Order Number:A1166995
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:08
Price ($):443.0

Additional information on benzyl 2-cyclopropylacetate

Benzyl 2-Cyclopropylacetate: A Comprehensive Overview

Benzyl 2-cyclopropylacetate, also known by its CAS number 59698-18-9, is a compound of significant interest in the fields of organic chemistry and material science. This compound has garnered attention due to its unique structural properties and potential applications in various industries. In recent years, advancements in synthetic methodologies and characterization techniques have shed light on its properties, making it a subject of extensive research.

The molecular structure of benzyl 2-cyclopropylacetate is characterized by a benzyl group attached to a cyclopropyl acetate moiety. This combination imparts the compound with distinctive electronic and steric properties. The cyclopropane ring, a three-membered ring with significant ring strain, contributes to the compound's reactivity and stability. Recent studies have explored the influence of this strained ring on the compound's chemical behavior, revealing insights into its potential as a building block in organic synthesis.

One of the most notable aspects of benzyl 2-cyclopropylacetate is its versatility in chemical reactions. Researchers have demonstrated its ability to participate in various transformations, including nucleophilic substitutions, cycloadditions, and cross-coupling reactions. These reactions are pivotal in the synthesis of complex molecules, such as pharmaceutical agents and advanced materials. For instance, recent work has highlighted its role in the construction of bioactive compounds with potential therapeutic applications.

The synthesis of benzyl 2-cyclopropylacetate has been optimized through innovative approaches, leveraging modern catalytic systems and green chemistry principles. These advancements have not only improved the yield and purity of the compound but also reduced the environmental footprint of its production. Such efforts align with the growing demand for sustainable chemical processes in the industry.

In terms of applications, benzyl 2-cyclopropylacetate finds utility in diverse fields. Its use as an intermediate in organic synthesis is well-documented, particularly in the development of agrochemicals and specialty chemicals. Additionally, its unique physical properties make it a candidate for applications in polymer science and nanotechnology. Recent explorations have focused on its potential as a precursor for functional materials with tailored electronic properties.

From a research perspective, benzyl 2-cyclopropylacetate continues to be a focal point due to its ability to engage in unprecedented chemical transformations. For example, studies have revealed its reactivity under extreme conditions, such as high pressure or low temperature, offering new avenues for exploring uncharted chemical space. These findings underscore the importance of this compound in advancing our understanding of organic chemistry fundamentals.

Moreover, computational chemistry has played a pivotal role in elucidating the electronic structure and reactivity patterns of benzyl 2-cyclopropylacetate. Advanced quantum mechanical calculations have provided insights into its bonding characteristics and reaction mechanisms, enabling more precise predictions for its behavior in different chemical environments.

In conclusion, benzyl 2-cyclopropylacetate (CAS No: 59698-18-9) stands as a testament to the ingenuity and progress in modern chemistry. Its unique properties, versatile reactivity, and wide-ranging applications position it as a key player in both academic research and industrial innovation. As research continues to uncover new facets of this compound, it is poised to make even greater contributions to the advancement of science and technology.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:59698-18-9)benzyl 2-cyclopropylacetate
A1166995
Purity:99%
Quantity:5g
Price ($):443.0
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