Cas no 33537-18-7 (Ethyl 2-cyclopentyl-2-oxoacetate)

Ethyl 2-cyclopentyl-2-oxoacetate is a versatile ester compound characterized by its cyclopentyl and oxoacetate functional groups. This product is primarily used as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its reactive α-keto ester moiety enables participation in condensation, alkylation, and nucleophilic addition reactions, making it valuable for constructing complex molecular frameworks. The cyclopentyl group enhances steric and electronic properties, influencing selectivity in synthetic pathways. Ethyl 2-cyclopentyl-2-oxoacetate is typically supplied with high purity, ensuring consistent performance in laboratory and industrial applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
Ethyl 2-cyclopentyl-2-oxoacetate structure
33537-18-7 structure
Product Name:Ethyl 2-cyclopentyl-2-oxoacetate
CAS No:33537-18-7
MF:C9H14O3
MW:170.205663204193
MDL:MFCD09055346
CID:1064905
PubChem ID:10953950
Update Time:2025-05-20

Ethyl 2-cyclopentyl-2-oxoacetate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-cyclopentyl-2-oxoacetate
    • Cyclopentyl-oxo-acetic acid ethyl ester
    • ethyl cyclopentyl(oxo)acetate
    • 2-cyclopentyl-2-oxo-acetic acid ethyl ester
    • ethyl cyclopentylpyruvate
    • Ethyl2-cyclopentyl-2-oxoacetate
    • SCHEMBL165885
    • DTXSID10449562
    • WOJWUNMAGJRHCD-UHFFFAOYSA-N
    • EN300-57256
    • 33537-18-7
    • AKOS006239040
    • MFCD09055346
    • SB36668
    • Ethyl cyclopentyl(oxo)acetate, AldrichCPR
    • CS-0061535
    • AS-59926
    • DB-370511
    • W17353
    • Ethylcyclopentyl(oxo)acetate
    • MDL: MFCD09055346
    • Inchi: 1S/C9H14O3/c1-2-12-9(11)8(10)7-5-3-4-6-7/h7H,2-6H2,1H3
    • InChI Key: WOJWUNMAGJRHCD-UHFFFAOYSA-N
    • SMILES: O=C(C(=O)OCC)C1CCCC1

Computed Properties

  • Exact Mass: 170.09400
  • Monoisotopic Mass: 170.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 180
  • 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: 1.9
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.088
  • Boiling Point: 245.821°C at 760 mmHg
  • Flash Point: 102.469°C
  • Refractive Index: 1.466
  • PSA: 43.37000
  • LogP: 1.30880

Ethyl 2-cyclopentyl-2-oxoacetate Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Additional information on Ethyl 2-cyclopentyl-2-oxoacetate

Ethyl 2-Cyclopentyl-2-Oxoacetate: A Comprehensive Overview

Ethyl 2-cyclopentyl-2-oxoacetate, with the CAS number 33537-18-7, is a versatile organic compound that has garnered significant attention in both academic and industrial research. This compound, also referred to as ethyl cyclopentylglyoxylate, belongs to the class of esters and is characterized by its unique structure, which includes a cyclopentane ring fused with a ketone group. The molecule's structure makes it highly reactive, rendering it suitable for various applications in organic synthesis.

Recent studies have highlighted the potential of ethyl 2-cyclopentyl-2-oxoacetate in the synthesis of bioactive compounds. Researchers have explored its role as an intermediate in the preparation of complex molecules, such as those with anti-inflammatory or anticancer properties. For instance, a 2023 study published in the *Journal of Medicinal Chemistry* demonstrated that derivatives of this compound exhibit promising activity against certain cancer cell lines, suggesting its potential in drug discovery.

The synthesis of ethyl 2-cyclopentyl-2-oxoacetate typically involves multi-step processes, often starting from readily available starting materials. One common approach involves the cyclization of appropriate precursors under specific reaction conditions. The compound's stability and reactivity make it an ideal candidate for further functionalization, enabling chemists to explore diverse pathways for its utilization.

From an industrial perspective, ethyl cyclopentylglyoxylate finds applications in the production of specialty chemicals and agrochemicals. Its ability to participate in various condensation reactions has made it a valuable intermediate in the synthesis of herbicides and fungicides. Recent advancements in green chemistry have also led to the development of more sustainable methods for synthesizing this compound, reducing its environmental footprint.

Moreover, the physical and chemical properties of ethyl 2-cyclopentyl-2-oxoacetate have been extensively studied to optimize its handling and storage. The compound is typically a colorless liquid with a characteristic odor, and its solubility in common organic solvents facilitates its use in various chemical processes. Safety data indicates that proper precautions should be taken during handling to avoid exposure, given its potential irritant properties.

In conclusion, ethyl 2-cyclopentyl-2-oxoacetate (CAS No: 33537-18-7) stands out as a critical intermediate in organic synthesis, offering a wide range of applications across different industries. Its continued exploration in both academic and industrial settings underscores its significance as a valuable tool in modern chemistry.

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