Cas no 343238-58-4 (Methyl azetidine-3-carboxylate)

Methyl azetidine-3-carboxylate is a versatile heterocyclic building block widely used in organic synthesis and pharmaceutical research. Its strained azetidine ring and ester functionality make it valuable for constructing complex molecular architectures, particularly in medicinal chemistry for drug discovery. The compound serves as a key intermediate in the synthesis of bioactive molecules, including protease inhibitors and other therapeutic agents. Its reactivity allows for further functionalization, enabling the introduction of diverse substituents. The ester group facilitates straightforward derivatization, while the azetidine core contributes to conformational rigidity, often enhancing binding affinity in target interactions. This compound is particularly useful for exploring structure-activity relationships in small-molecule drug development.
Methyl azetidine-3-carboxylate structure
343238-58-4 structure
Product Name:Methyl azetidine-3-carboxylate
CAS No:343238-58-4
MF:C5H9NO2
MW:115.130461454391
MDL:MFCD07787254
CID:303840
PubChem ID:20132751
Update Time:2025-06-13

Methyl azetidine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl azetidine-3-carboxylate
    • 3-Azetidinecarboxylic acid methyl ester
    • azetidine-3-carboxylic acid methyl ester
    • methyl 3-azetidinecarboxylate
    • methylazetidine-3-carboxylate
    • DTXSID20602803
    • CS-13009
    • 1-Methyl-azetidine-3-carboxylic acid anion
    • AKOS005264661
    • WGEYNHXHVVYOSK-UHFFFAOYSA-N
    • 343238-58-4
    • 3-Azetidinecarboxylic acid, methyl ester
    • BB 0260433
    • FT-0769913
    • CS-0183745
    • SCHEMBL1161371
    • EN300-247509
    • 3-azetidinecarboxylic acid methyl ester, AldrichCPR
    • A6044
    • AMY4957
    • MFCD07787254
    • DZ5G2L3XEY
    • SY033073
    • MDL: MFCD07787254
    • Inchi: 1S/C5H9NO2/c1-8-5(7)4-2-6-3-4/h4,6H,2-3H2,1H3
    • InChI Key: WGEYNHXHVVYOSK-UHFFFAOYSA-N
    • SMILES: O(C)C(C1CNC1)=O

Computed Properties

  • Exact Mass: 115.06300
  • Monoisotopic Mass: 115.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 98.6
  • 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: -0.6
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Density: 1.10
  • Boiling Point: 145 oC
  • Flash Point: 41 oC
  • PSA: 38.33000
  • LogP: -0.29240

Methyl azetidine-3-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Methyl azetidine-3-carboxylate

Introduction to Methyl azetidine-3-carboxylate (CAS No. 343238-58-4)

Methyl azetidine-3-carboxylate, a compound with the chemical formula C?H?O? and CAS number 343238-58-4, is a significant intermediate in the field of organic synthesis and pharmaceutical research. This compound belongs to the azetidine class of heterocyclic compounds, which are widely studied for their diverse biological activities and synthetic utility. The structure of Methyl azetidine-3-carboxylate features a five-membered ring containing two carbon atoms and one nitrogen atom, with a carboxylate group and a methyl ester substituent. This unique configuration makes it a valuable building block for the synthesis of more complex molecules, particularly in the development of novel therapeutic agents.

The< strong>Methyl azetidine-3-carboxylate molecule has garnered considerable attention in recent years due to its potential applications in medicinal chemistry. Its heterocyclic core is reminiscent of natural products such as antibiotics and alkaloids, which have been instrumental in the development of life-saving drugs. The presence of both a carboxylate group and a methyl ester provides multiple reactive sites, enabling the formation of various functional derivatives through esterification, amidation, or other transformations. These properties make it an attractive candidate for further exploration in drug discovery.

Recent advancements in synthetic methodologies have enhanced the accessibility of Methyl azetidine-3-carboxylate, making it more feasible for large-scale production and research applications. Modern techniques such as catalytic hydrogenation, nucleophilic substitution, and asymmetric synthesis have been employed to optimize its synthesis, improving yield and purity. These improvements have opened new avenues for its use in pharmaceutical research, particularly in the development of small-molecule inhibitors targeting specific biological pathways.

In the realm of medicinal chemistry, Methyl azetidine-3-carboxylate has been investigated for its potential role as a precursor in the synthesis of bioactive molecules. For instance, derivatives of this compound have shown promise as kinase inhibitors, which are critical in treating cancers and inflammatory diseases. The nitrogen atom in the azetidine ring can be functionalized to create pharmacophores that interact with biological targets, modulating cellular processes and disease progression. Researchers have also explored its use in designing antimicrobial agents, leveraging its structural features to disrupt bacterial cell wall synthesis or interfere with essential metabolic pathways.

The< strong>Methyl azetidine-3-carboxylate CAS number 343238-58-4 is not only significant for its synthetic applications but also for its role in academic research. Studies have demonstrated its utility as a scaffold for developing novel compounds with enhanced pharmacological properties. For example, modifications to the carboxylate and methyl ester groups have led to derivatives with improved solubility, bioavailability, and target specificity. These findings underscore the importance of Methyl azetidine-3-carboxylate as a versatile intermediate in drug discovery.

Moreover, the< strong>Methyl azetidine-3-carboxylate molecule has been utilized in computational chemistry studies to understand molecular interactions at a quantum mechanical level. These studies help predict how the compound might behave within biological systems, providing insights into its potential therapeutic effects. By integrating experimental data with computational models, researchers can design more effective drug candidates with fewer off-target effects.

The pharmaceutical industry has shown particular interest in Methyl azetidine-3-carboxylate due to its potential as an active pharmaceutical ingredient (API) or intermediate in API synthesis. Its structural simplicity allows for rapid derivatization into more complex molecules, streamlining the drug development process. Additionally, its stability under various conditions makes it suitable for industrial-scale production without significant degradation concerns.

In conclusion, Methyl azetidine-3-carboxylate (CAS No. 343238-58-4) is a multifaceted compound with significant implications in organic synthesis and pharmaceutical research. Its unique structural features make it a valuable tool for developing novel therapeutic agents targeting various diseases. As research continues to uncover new applications for this compound, its importance in medicinal chemistry is likely to grow further.

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