Cas no 1248510-38-4 (1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester)

1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester, is a protected derivative of azetidine-2-carboxylic acid, featuring a tert-butyl ester group that enhances stability and handling. This compound is particularly valuable in organic synthesis, where the tert-butyl ester serves as a robust protecting group for the carboxylic acid functionality, enabling selective reactions under mild conditions. Its structural rigidity and steric hindrance make it useful in peptide chemistry and medicinal research, where controlled deprotection is required. The tert-butyl ester also improves solubility in organic solvents, facilitating purification and further functionalization. This reagent is commonly employed in the synthesis of bioactive molecules and heterocyclic compounds.
1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester structure
1248510-38-4 structure
Product Name:1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester
CAS No:1248510-38-4
MF:C8H13NO2
MW:155.194322347641
CID:6636437
PubChem ID:91670314
Update Time:2025-05-21

1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester
    • 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester ISO 9001:2015 REACH
    • tert-Butyl azete-1(2H)-carboxylate
    • CS-0310824
    • EN300-84329
    • 1248510-38-4
    • tert-butyl 1,2-dihydroazete-1-carboxylate
    • Inchi: 1S/C8H13NO2/c1-8(2,3)11-7(10)9-5-4-6-9/h4-5H,6H2,1-3H3
    • InChI Key: WXEOUSQBCNRCJO-UHFFFAOYSA-N
    • SMILES: N1(C(OC(C)(C)C)=O)C=CC1

Computed Properties

  • Exact Mass: 155.094628657g/mol
  • Monoisotopic Mass: 155.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • 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: 1.1
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Density: 1.088±0.06 g/cm3(Predicted)
  • Boiling Point: 210.8±23.0 °C(Predicted)
  • pka: -0.63±0.20(Predicted)

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Additional information on 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester

Comprehensive Overview of 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester (CAS No. 1248510-38-4)

The compound 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester (CAS No. 1248510-38-4) is a specialized organic molecule with significant applications in pharmaceutical and chemical research. Its unique structure, featuring an azetidine ring and a tert-butyl ester group, makes it a valuable intermediate in synthetic chemistry. Researchers and industry professionals frequently search for this compound due to its role in drug discovery and material science. Keywords such as "azetidine derivatives," "tert-butyl ester synthesis," and "CAS 1248510-38-4 applications" highlight its relevance in modern scientific inquiries.

In recent years, the demand for 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester has surged, driven by advancements in small molecule therapeutics and peptide mimetics. The compound's ability to act as a protecting group or a building block in organic synthesis has made it indispensable. Popular search queries like "how to synthesize azetidine esters" and "uses of tert-butyl esters in drug development" reflect its growing importance. Additionally, its stability and reactivity under mild conditions align with the industry's shift toward green chemistry and sustainable synthesis practices.

The azetidine core of 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester is particularly noteworthy. This four-membered nitrogen heterocycle is a privileged scaffold in medicinal chemistry, often explored for its conformational rigidity and bioactivity. Searches for "azetidine-based drugs" and "heterocyclic compounds in pharmaceuticals" underscore its therapeutic potential. The tert-butyl ester moiety further enhances the compound's utility, offering steric protection and facilitating controlled deprotection in multi-step syntheses.

From a technical perspective, CAS 1248510-38-4 is often discussed in the context of NMR spectroscopy and mass spectrometry characterization. Analytical chemists frequently seek information on "spectroscopic data for azetidine derivatives" or "fragmentation patterns of tert-butyl esters," emphasizing the need for accurate structural elucidation. The compound's purity and stability are also critical, with queries like "storage conditions for sensitive esters" being common among laboratory professionals.

Beyond its chemical properties, 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester is a subject of interest in patent literature and academic publications. Its inclusion in novel synthetic routes or as a key intermediate in API manufacturing (Active Pharmaceutical Ingredient) has been documented. Search trends such as "recent patents on azetidine chemistry" and "scale-up of ester derivatives" reflect its commercial and scientific value. Furthermore, the compound aligns with the rising focus on fragment-based drug design, where small, rigid molecules like azetidines are prioritized.

In conclusion, 1(2H)-Azetecarboxylic acid, 1,1-dimethylethyl ester (CAS No. 1248510-38-4) represents a versatile and high-demand chemical entity. Its applications span drug discovery, material science, and analytical chemistry, making it a focal point for researchers worldwide. By addressing common search queries and integrating contemporary trends like sustainable synthesis and fragment-based design, this overview aims to provide a comprehensive, SEO-optimized resource for professionals seeking detailed insights into this compound.

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