Cas no 115614-51-2 (Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI))

Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) structure
115614-51-2 structure
Product Name:Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI)
CAS No:115614-51-2
MF:C8H15NO2
MW:157.210202455521
CID:130838
PubChem ID:45086096
Update Time:2025-07-21

Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI)
    • 1-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]ethanone
    • 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
    • SCHEMBL4000982
    • 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
    • Morpholine, 4-acetyl-2,6-dimethyl-, cis-
    • EN300-6771592
    • 115614-51-2
    • Z1610022523
    • Morpholine, 4-acetyl-2,6-dimethyl-, cis- (9CI)
    • Inchi: 1S/C8H15NO2/c1-6-4-9(8(3)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3/t6-,7+
    • InChI Key: ITBIIJTXOBWJPI-KNVOCYPGSA-N
    • SMILES: O1[C@H](C)CN(C(C)=O)C[C@@H]1C

Computed Properties

  • Exact Mass: 157.11035
  • Monoisotopic Mass: 157.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 148
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.54

Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) Pricemore >>

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Additional information on Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI)

Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI): A Comprehensive Overview in Chemical and Pharmaceutical Research

Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research due to its unique structural properties and potential applications. This compound, identified by its CAS number 115614-51-2, belongs to the morpholine class of heterocyclic compounds, which are known for their versatility in medicinal chemistry. The presence of an acetyl group at the 4-position and dimethyl substituents at the 2- and 6-positions introduces specific functional characteristics that make this molecule of particular interest for further investigation.

The structural configuration of Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) is crucial in determining its chemical behavior and biological activity. The cis-isomer designation suggests a specific spatial arrangement of the substituents, which can significantly influence its interactions with biological targets. In recent years, there has been growing interest in understanding how such structural features contribute to the compound's pharmacological properties. This has led to several studies exploring its potential as a lead compound in drug discovery.

In the realm of pharmaceutical research, heterocyclic compounds like Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) are often investigated for their ability to modulate biological pathways. The morpholine core is particularly valued for its role in enhancing drug bioavailability and improving metabolic stability. Researchers have been particularly intrigued by its potential applications in developing treatments for various diseases, including infectious disorders and inflammatory conditions. The acetyl and dimethyl groups further expand its chemical space, allowing for modifications that could enhance binding affinity and selectivity.

Recent advancements in computational chemistry have enabled more efficient screening of compounds like Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI). By leveraging molecular modeling techniques, scientists can predict how this compound might interact with target proteins and enzymes. These predictions are crucial for designing experiments that validate the compound's potential as a therapeutic agent. For instance, studies have shown that the acetyl group can facilitate hydrogen bonding interactions, which are essential for stable binding to biological targets.

The synthesis of Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) presents unique challenges due to its complex structural features. However, modern synthetic methodologies have made significant strides in optimizing production processes. Techniques such as catalytic asymmetric synthesis have been particularly effective in achieving high yields of the desired isomer. This has opened up new avenues for exploring its applications in pharmaceuticals without compromising on purity or scalability.

One of the most promising areas of research involving Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) is its potential as an intermediate in the synthesis of more complex molecules. Its structural framework provides a versatile scaffold that can be modified to create novel compounds with enhanced pharmacological properties. For example, researchers have been exploring derivatives of this compound that exhibit improved solubility or reduced toxicity. Such modifications are critical for advancing drug candidates through preclinical testing and into clinical trials.

The pharmacokinetic profile of Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI) is another key focus of current research. Understanding how the body processes this compound can provide valuable insights into its potential therapeutic effects and side effects. Studies have begun to investigate its absorption, distribution, metabolism, and excretion (ADME) properties using both experimental and computational approaches. These studies are essential for optimizing dosing regimens and predicting drug-drug interactions.

In conclusion, Morpholine,4-acetyl-2,6-dimethyl-, cis- (9CI), with its CAS number 115614-51-2, represents a fascinating subject of study in chemical and pharmaceutical research. Its unique structural features offer a rich foundation for developing new therapeutic agents with tailored biological activities. As research continues to uncover more about its properties and potential applications, this compound is poised to play a significant role in future medical advancements.

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