Cas no 1539948-54-3 (6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid)

6,7-Dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid is a heterocyclic compound featuring a fused dioxino-pyrimidine core with a carboxylic acid functional group. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals and agrochemicals. The dioxane and pyrimidine moieties contribute to its stability and potential for further derivatization, while the carboxylic acid group enables facile conjugation or modification. Its rigid bicyclic framework may enhance binding affinity in bioactive molecules, making it valuable for drug discovery. The compound is typically handled under standard laboratory conditions, with purity and reactivity optimized for use in medicinal chemistry and material science research.
6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid structure
1539948-54-3 structure
Product Name:6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid
CAS No:1539948-54-3
MF:C7H6N2O4
MW:182.133541584015
MDL:MFCD29046489
CID:5579093
PubChem ID:83669430
Update Time:2025-05-26

6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid
    • [1,4]Dioxino[2,3-d]pyrimidine-4-carboxylic acid, 6,7-dihydro-
    • MDL: MFCD29046489
    • Inchi: 1S/C7H6N2O4/c10-7(11)4-5-6(9-3-8-4)13-2-1-12-5/h3H,1-2H2,(H,10,11)
    • InChI Key: PRCFVEAMCONZAK-UHFFFAOYSA-N
    • SMILES: C1=NC(C(O)=O)=C2OCCOC2=N1

Experimental Properties

  • Density: 1.552±0.06 g/cm3(Predicted)
  • Boiling Point: 393.0±42.0 °C(Predicted)
  • pka: 3.30±0.20(Predicted)

6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid Pricemore >>

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6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid Related Literature

Additional information on 6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid

6,7-Dihydro-[1,4]Dioxino[2,3-d]Pyrimidine-4-Carboxylic Acid: A Comprehensive Overview

The compound 6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid (CAS No. 1539948-54-3) is a fascinating molecule with a unique structure and potential applications in various fields. This compound belongs to the class of pyrimidine derivatives, which are well-known for their roles in biochemistry and pharmacology. The molecule's structure consists of a pyrimidine ring fused with a dioxine ring system, along with a carboxylic acid group at the 4-position. This combination of functional groups and ring systems makes it a subject of interest for researchers exploring its synthetic pathways and biological activities.

Recent studies have highlighted the importance of pyrimidine derivatives in drug discovery. The dioxine ring system in this compound adds complexity to its structure, potentially influencing its pharmacokinetic properties. Researchers have been particularly interested in the synthesis and characterization of this compound due to its potential as a building block for more complex molecules. For instance, the carboxylic acid group can be modified to create derivatives with enhanced bioavailability or specific binding affinities.

The synthesis of 6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid involves multi-step reactions that require precise control over reaction conditions. One common approach is the cyclization of appropriately substituted precursors under acidic or basic conditions. The formation of the dioxine ring is critical and often requires specific catalysts or reagents to ensure high yields and purity. Advanced techniques such as high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy are employed to confirm the compound's structure.

From a pharmacological perspective, this compound has shown promise in preliminary assays targeting various biological pathways. For example, studies have indicated that it may exhibit modulatory effects on enzymes involved in inflammation and oxidative stress. These findings suggest that it could be a lead compound for developing novel therapeutics in areas such as neurodegenerative diseases or cardiovascular conditions.

In addition to its pharmacological applications, 6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid has also been explored for its potential in materials science. Its rigid structure and functional groups make it a candidate for use in self-assembling materials or as a component in advanced polymers. Researchers are investigating its ability to form supramolecular structures under specific conditions, which could have implications for nanotechnology applications.

The environmental impact of synthesizing and using this compound is another area of interest. As sustainability becomes increasingly important in chemical research, efforts are being made to develop greener synthesis routes for 6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid. This includes exploring catalytic methods that reduce waste and energy consumption while maintaining product quality.

In conclusion,6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxylic acid is a versatile compound with diverse applications across multiple disciplines. Its unique structure and functional groups make it a valuable tool for researchers in drug discovery and materials science alike. As ongoing studies continue to uncover its potential uses and properties,this compound is poised to play an important role in advancing scientific knowledge and technological innovation.

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