Cas no 1221818-65-0 (tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate)

Tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate is a bicyclic heterocyclic compound featuring a fused naphthyridine scaffold with a carboxylate ester functionality. This intermediate is valuable in synthetic organic chemistry, particularly for constructing complex nitrogen-containing frameworks. The tert-butyl ester group enhances stability and facilitates selective deprotection under mild conditions, making it suitable for multi-step syntheses. Its rigid, partially saturated structure offers controlled stereochemistry, which is advantageous in medicinal chemistry for developing bioactive molecules. The compound’s versatility enables applications in peptidomimetics and alkaloid synthesis, where precise functionalization is critical. High purity and well-defined reactivity further underscore its utility in research and industrial settings.
tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate structure
1221818-65-0 structure
Product Name:tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
CAS No:1221818-65-0
MF:C13H22N2O3
MW:254.325383663177
MDL:MFCD16039664
CID:4563582
PubChem ID:49761048
Update Time:2025-08-04

tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 6-BOC-OCTAHYDRO-1,6-NAPHTHYRIDIN-2(1H)-ONE
    • tert-Butyl 2-oxooctahydro-1,6-naphthyridine-6(2H)-carboxylate
    • tert-butyl 2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
    • 2-Oxo-octahydro-[1,6]naphthyridine-6-carboxylic acid tert-butyl ester
    • W14471
    • 039O664
    • 2-Oxo-octahydro-[1,6]naphthyridine-6-carboxylic acid t-butyl ester
    • tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
    • MDL: MFCD16039664
    • Inchi: 1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-10-9(8-15)4-5-11(16)14-10/h9-10H,4-8H2,1-3H3,(H,14,16)
    • InChI Key: VZSTYWQZSYOHSE-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCC2C(CCC(N2)=O)C1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 349
  • XLogP3: 0.9
  • Topological Polar Surface Area: 58.6

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 418.6±45.0 °C at 760 mmHg
  • Flash Point: 206.9±28.7 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate Security Information

tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate Pricemore >>

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TRC
B811438-10mg
tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
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$ 50.00 2022-06-06
TRC
B811438-50mg
tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
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Additional information on tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate

Introduction to Tert-Butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate (CAS No 1221818-65-0)

Tert-butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate is a highly specialized chemical compound that has garnered significant attention in the field of pharmaceutical research and development. This compound, identified by its CAS number 1221818-65-0, belongs to the class of naphthyridine derivatives and exhibits a complex molecular structure that makes it a promising candidate for various biological and chemical applications. The presence of multiple functional groups, including a tert-butyl group and a carboxylate moiety, contributes to its unique reactivity and potential utility in synthetic chemistry.

The< strong>naphthyridine core of this compound is a heterocyclic aromatic system that has been extensively studied for its pharmacological properties. Naphthyridines are known for their ability to interact with biological targets such as enzymes and receptors, making them valuable scaffolds for drug design. In particular, the 2-oxo group in the structure introduces a polar region that can enhance solubility and binding affinity. This feature is particularly important in medicinal chemistry, where optimizing solubility and bioavailability is crucial for the development of effective therapeutic agents.

Recent advancements in computational chemistry have enabled researchers to predict the biological activity of compounds like Tert-butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate with greater accuracy. Molecular docking studies have shown that this compound can bind to various protein targets with high specificity. For instance, it has been demonstrated to interact with enzymes involved in metabolic pathways and signaling cascades relevant to diseases such as cancer and inflammation. These findings suggest that Tert-butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate could serve as a lead compound for the development of novel therapeutic strategies.

The synthesis of this compound involves multi-step organic reactions that require precise control over reaction conditions. The tert-butyl group enhances the stability of the molecule during synthesis and also contributes to its pharmacokinetic properties. The carboxylate moiety provides a site for further functionalization, allowing chemists to modify the compound's properties as needed. These synthetic considerations are critical in ensuring the high yield and purity of the final product.

In vitro studies have begun to explore the potential applications of Tert-butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate in drug discovery. Preliminary results indicate that it exhibits inhibitory activity against certain enzymes and may have anti-inflammatory effects. These findings are particularly intriguing given the growing interest in targeting inflammation as a means of treating chronic diseases. Additionally? researchers are investigating its potential role in modulating neural pathways associated with neurological disorders.

The< strong>pharmacological profile of this compound is further enhanced by its ability to cross biological membranes due to its lipophilic nature. This property is essential for drugs that need to reach their target sites within the body efficiently. The combination of lipophilicity and polar functional groups makes Tert-butyl 2-Oxo-1,3,4,4a,5,7,8,8a-octahydro-l,6-naphthyridine-l-carboxylate a versatile candidate for further exploration in medicinal chemistry.

Future research will focus on optimizing the synthesis of this compound and evaluating its safety profile in preclinical studies. Understanding how it behaves within living systems will provide valuable insights into its potential as a therapeutic agent. Collaborative efforts between synthetic chemists and biologists will be essential in unraveling its full biological potential.

The development of new pharmaceuticals often relies on innovative chemical entities like Tert-butyl 2-Oxo-l,3,4,4a,5,7,8,8a-octahydro-l,6-naphthyridine-l-carboxylate (CAS No 1221818-65-0). Its unique structure and promising biological activity make it an exciting subject for further study. As research progresses, we can expect more discoveries that highlight its importance in addressing complex diseases.

In conclusion,Tert-butyl 2-Oxo-l,3,4,4a,5,7,8?8a-octahydro-l,6-naphthyridine-l-carboxylate represents a significant advancement in pharmaceutical chemistry。 Its complex molecular architecture and favorable pharmacological properties position it as a valuable tool for drug discovery。 Ongoing research efforts will continue to uncover new applications for this compound, contributing to advancements in medicine and improving patient outcomes worldwide。

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