Cas no 1342165-88-1 (ethyl 3-amino-3-(oxan-3-yl)propanoate)

Ethyl 3-amino-3-(oxan-3-yl)propanoate is a versatile intermediate in organic synthesis, characterized by its bifunctional structure incorporating both an ester and an amino group. The presence of the oxan-3-yl (tetrahydropyran-3-yl) moiety enhances its steric and electronic properties, making it valuable for the construction of complex molecules, particularly in pharmaceutical and agrochemical applications. Its ester group offers reactivity for further derivatization, while the amino group enables participation in condensation or coupling reactions. The compound's stability under standard conditions and compatibility with a range of solvents and reagents contribute to its utility in multi-step synthetic routes. Suitable for controlled functionalization, it serves as a key building block in heterocyclic and peptidomimetic chemistry.
ethyl 3-amino-3-(oxan-3-yl)propanoate structure
1342165-88-1 structure
Product Name:ethyl 3-amino-3-(oxan-3-yl)propanoate
CAS No:1342165-88-1
MF:C10H19NO3
MW:201.262763261795
MDL:MFCD18877119
CID:5607704
PubChem ID:63737191
Update Time:2025-06-28

ethyl 3-amino-3-(oxan-3-yl)propanoate Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-3-propanoic acid, β-aminotetrahydro-, ethyl ester
    • Ethyl 3-amino-3-(tetrahydro-2h-pyran-3-yl)propanoate
    • CS-0348093
    • AKOS013048029
    • EN300-843547
    • 1342165-88-1
    • ethyl 3-amino-3-(oxan-3-yl)propanoate
    • MDL: MFCD18877119
    • Inchi: 1S/C10H19NO3/c1-2-14-10(12)6-9(11)8-4-3-5-13-7-8/h8-9H,2-7,11H2,1H3
    • InChI Key: KJPSZCLGCXVTRS-UHFFFAOYSA-N
    • SMILES: C(C1COCCC1)(N)CC(=O)OCC

Computed Properties

  • Exact Mass: 201.13649347g/mol
  • Monoisotopic Mass: 201.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 184
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • Density: 1.060±0.06 g/cm3(Predicted)
  • Boiling Point: 302.3±17.0 °C(Predicted)
  • pka: 8.59±0.33(Predicted)

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Additional information on ethyl 3-amino-3-(oxan-3-yl)propanoate

Introduction to Ethyl 3-amino-3-(oxan-3-yl)propanoate (CAS No. 1342165-88-1)

Ethyl 3-amino-3-(oxan-3-yl)propanoate, identified by its CAS number 1342165-88-1, is a significant compound in the realm of chemical and pharmaceutical research. This compound belongs to a class of molecules that exhibit intriguing structural and functional properties, making it a subject of considerable interest in both academic and industrial settings.

The molecular structure of ethyl 3-amino-3-(oxan-3-yl)propanoate features a unique combination of functional groups, including an amino group and an ester moiety, which are strategically positioned relative to an oxane ring. This configuration imparts distinct chemical reactivity and potential biological activity, making it a valuable scaffold for the development of novel pharmaceutical agents.

In recent years, there has been growing interest in the synthesis and characterization of this compound due to its potential applications in drug discovery. The oxane ring, a cyclic ether moiety, is known for its stability and ability to mimic certain biological functionalities, which makes it an attractive component in medicinal chemistry. The presence of both amino and ester groups further enhances its versatility, allowing for diverse chemical modifications and functionalization.

One of the most compelling aspects of ethyl 3-amino-3-(oxan-3-yl)propanoate is its role as a building block in the synthesis of more complex molecules. Researchers have leveraged its structural features to develop novel derivatives with enhanced pharmacological properties. For instance, the amino group can be readily incorporated into peptide mimetics or used as a site for covalent attachment to other biomolecules, while the ester group can be hydrolyzed to release active pharmaceutical ingredients (APIs).

The pharmaceutical industry has shown particular interest in this compound due to its potential as an intermediate in the synthesis of bioactive molecules. Studies have demonstrated its utility in the preparation of inhibitors targeting various therapeutic pathways. For example, derivatives of ethyl 3-amino-3-(oxan-3-yl)propanoate have been explored as potential kinase inhibitors, which are crucial in treating cancers and inflammatory diseases.

Moreover, the compound's ability to undergo selective modifications has made it a valuable tool in combinatorial chemistry and high-throughput screening (HTS) platforms. By systematically varying the substituents on the oxane ring and other functional groups, researchers can generate libraries of compounds with tailored properties. This approach has led to the discovery of several lead compounds with promising therapeutic effects.

In academic research, ethyl 3-amino-3-(oxan-3-yl)propanoate has been used to study the mechanisms of various biochemical pathways. Its unique structural features allow it to interact with biological targets in specific ways, providing insights into drug-receptor interactions and metabolic processes. Such studies are essential for understanding disease mechanisms and developing targeted therapies.

The synthesis of ethyl 3-amino-3-(oxan-3-yl)propanoate presents both challenges and opportunities for chemists. While the oxane ring adds complexity to the synthetic route, it also offers unique opportunities for stereoselective synthesis. Recent advances in catalytic methods have enabled more efficient and scalable production of this compound, making it more accessible for research purposes.

The future prospects for ethyl 3-amino-3-(oxan-3-ylopropanoate) are promising, with ongoing research exploring its potential applications in drug development and material science. As our understanding of its properties grows, so does its utility in creating innovative solutions for complex problems. Whether used as a starting material or as part of a larger molecular framework, this compound continues to captivate researchers with its versatility and potential.

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