Cas no 1408075-88-6 (methyl 1-methyl-3-oxo-cyclobutanecarboxylate)

Methyl 1-methyl-3-oxo-cyclobutanecarboxylate is a cyclobutane derivative featuring both a ketone and ester functional group, making it a versatile intermediate in organic synthesis. Its strained four-membered ring structure enhances reactivity, facilitating ring-opening and functionalization reactions. The compound is particularly useful in pharmaceutical and agrochemical research, where it serves as a precursor for building complex molecular frameworks. The presence of the methyl ester group allows for further derivatization under mild conditions. Its stability under standard handling conditions and well-characterized reactivity profile make it a reliable choice for synthetic applications requiring controlled ring transformations.
methyl 1-methyl-3-oxo-cyclobutanecarboxylate structure
1408075-88-6 structure
Product Name:methyl 1-methyl-3-oxo-cyclobutanecarboxylate
CAS No:1408075-88-6
MF:C7H10O3
MW:142.152502536774
MDL:MFCD23105986
CID:3164377
PubChem ID:72207890
Update Time:2025-05-24

methyl 1-methyl-3-oxo-cyclobutanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-oxo-1-methyl-cyclobutanecarboxylate
    • Methyl 1-methyl-3-oxocyclobutanecarboxylate
    • methyl 1-methyl-3-oxocyclobutane-1-carboxylate
    • SB20667
    • PB36812
    • FCH2311218
    • OR317122
    • AK172510
    • ST1110803
    • Methyl 1-methyl-3-oxo-cyclobutanecarboxylate
    • Methyl 3-oxo-1-methylcyclobutane-1-carboxylate
    • Cyclobutanecarboxylic acid, 1-methyl-3-oxo-, methyl ester
    • Methyl1-methyl-3-oxocyclobutanecarboxylate
    • 1408075-88-6
    • CS-0049225
    • MFCD23105986
    • DB-096156
    • SY098189
    • AKOS025290304
    • AS-34699
    • SCHEMBL17317465
    • methyl 1-methyl-3-oxo-cyclobutanecarboxylate
    • MDL: MFCD23105986
    • Inchi: 1S/C7H10O3/c1-7(6(9)10-2)3-5(8)4-7/h3-4H2,1-2H3
    • InChI Key: AFJSYXYJQWHNMP-UHFFFAOYSA-N
    • SMILES: O(C)C(C1(C)CC(C1)=O)=O

Computed Properties

  • Exact Mass: 142.062994177g/mol
  • Monoisotopic Mass: 142.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 175
  • 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
  • Topological Polar Surface Area: 43.4
  • XLogP3: -0.1

Experimental Properties

  • Density: 1.150±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 190.1±33.0 oC (760 Torr),
  • Flash Point: 72.4±25.4 oC,
  • Solubility: Dissolution (43 g/l) (25 o C),

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methyl 1-methyl-3-oxo-cyclobutanecarboxylate Suppliers

Amadis Chemical Company Limited
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(CAS:1408075-88-6)methyl 1-methyl-3-oxo-cyclobutanecarboxylate
Order Number:A900390
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:05
Price ($):166.0

Additional information on methyl 1-methyl-3-oxo-cyclobutanecarboxylate

Methyl 1-methyl-3-oxo-cyclobutanecarboxylate (CAS No. 1408075-88-6): A Comprehensive Overview

Methyl 1-methyl-3-oxo-cyclobutanecarboxylate, identified by its CAS number 1408075-88-6, is a compound of significant interest in the field of organic chemistry and pharmaceutical research. This molecule, characterized by its cyclobutane ring structure and ester functional group, has garnered attention due to its potential applications in the synthesis of bioactive molecules and its role in various chemical transformations.

The structural motif of methyl 1-methyl-3-oxo-cyclobutanecarboxylate consists of a cyclobutane ring substituted with a methyl group at the 1-position and an ester group at the 3-position. This unique arrangement imparts distinct chemical properties that make it a valuable intermediate in synthetic chemistry. The presence of the oxo group (carbonyl) enhances reactivity, allowing for various functionalization strategies that can be exploited in drug discovery and material science.

In recent years, there has been growing interest in cycloalkane derivatives due to their versatility in medicinal chemistry. The cyclobutane core is particularly appealing because it can mimic the conformational flexibility of certain biological targets, improving binding affinity and pharmacokinetic properties. Researchers have been exploring ways to incorporate cyclobutane units into drug candidates to enhance their efficacy and reduce side effects.

One of the most compelling aspects of methyl 1-methyl-3-oxo-cyclobutanecarboxylate is its utility as a building block for more complex molecules. The ester functionality can be hydrolyzed or transesterified, while the methyl group can undergo various transformations such as alkylation or oxidation. These properties make it a versatile intermediate for synthesizing a wide range of compounds, including heterocycles and other pharmacologically relevant structures.

Recent studies have highlighted the importance of cyclobutane derivatives in the development of novel therapeutic agents. For instance, researchers have demonstrated that compounds containing a cyclobutane ring can exhibit enhanced stability against metabolic degradation, making them more effective in vivo. Additionally, the rigid structure of the cyclobutane ring can improve interactions with biological targets, leading to higher selectivity and potency.

The synthesis of methyl 1-methyl-3-oxo-cyclobutanecarboxylate typically involves multi-step organic reactions that require careful optimization. Common synthetic routes include cyclization reactions followed by esterification or other functional group transformations. Advances in catalytic methods have also enabled more efficient and sustainable synthetic pathways, reducing waste and improving yields.

In the context of drug discovery, methyl 1-methyl-3-oxo-cyclobutanecarboxylate has been used as a precursor for several lead compounds. Its structural features allow for easy modifications that can fine-tune pharmacological properties such as solubility, bioavailability, and target specificity. By leveraging its reactivity, chemists have been able to develop novel scaffolds that exhibit promising biological activity against various diseases.

The compound's potential extends beyond pharmaceutical applications. In material science, cycloalkane derivatives like methyl 1-methyl-3-oxo-cyclobutanecarboxylate are being explored for their role in polymer chemistry and nanotechnology. Their unique structural properties make them suitable candidates for developing advanced materials with tailored functionalities.

As research continues to uncover new applications for cyclobutane derivatives, the demand for high-quality intermediates such as methyl 1-methyl-3-oxo-cyclobutanecarboxylate is expected to grow. The compound's versatility and reactivity position it as a cornerstone in synthetic chemistry, enabling innovation across multiple disciplines. Future studies may further elucidate its potential in areas such as green chemistry and sustainable manufacturing processes.

In conclusion, methyl 1-methyl-3-oxo-cyclobutanecarboxylate (CAS No. 1408075-88-6) is a multifaceted compound with significant implications in organic synthesis and pharmaceutical development. Its unique structural features and reactivity make it an invaluable tool for researchers seeking to develop novel bioactive molecules and advanced materials. As scientific understanding progresses, this compound is likely to play an even greater role in shaping the future of chemical research and innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1408075-88-6)methyl 1-methyl-3-oxo-cyclobutanecarboxylate
A900390
Purity:99%
Quantity:5g
Price ($):166.0
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