Cas no 1257739-11-9 (2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione)

2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is a boron-containing heterocyclic compound characterized by its unique dioxazaborocane core structure. This compound is of interest in organic synthesis and materials science due to its potential as a versatile intermediate or ligand. The presence of the methoxyphenyl group enhances its solubility in organic solvents, while the methyl substitution on the boron-nitrogen ring system may influence its stability and reactivity. Its structural features make it suitable for applications in catalysis, coordination chemistry, or as a precursor for advanced boron-based materials. The compound's well-defined molecular architecture allows for precise modifications, enabling tailored properties for specific research or industrial applications.
2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione structure
1257739-11-9 structure
Product Name:2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No:1257739-11-9
MF:C12H14BNO5
MW:263.054263591766
CID:3161066
PubChem ID:71310668
Update Time:2025-06-28

2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione Chemical and Physical Properties

Names and Identifiers

    • 5-(4-Methoxyphenyl)-1-methyl-1,5-azaborocane-3,7-dione
    • 1257739-11-9
    • 4-Methoxyphenylboronic acid MIDA ester, 97%
    • AKOS027314135
    • MFCD11215235
    • 2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
    • 1258238-85-5
    • AS-2881
    • MDL: MFCD11215235
    • Inchi: 1S/C12H14BNO5/c1-14-7-11(15)18-13(19-12(16)8-14)9-3-5-10(17-2)6-4-9/h3-6H,7-8H2,1-2H3
    • InChI Key: UMYGAOMZGXRKKP-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC(=CC=2)OC)OC(CN(C)CC1=O)=O

Computed Properties

  • Exact Mass: 263.097
  • Monoisotopic Mass: 263.097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 323
  • 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
  • Topological Polar Surface Area: 65.1A^2

2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione Security Information

2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione Pricemore >>

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Additional information on 2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

2-(4-Methoxyphenyl)-6-Methyl-1,3,6,2-Dioxazaborocane-4,8-Dione: A Comprehensive Overview

2-(4-Methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (CAS No. 1257739-11-9) is a unique and versatile compound that has garnered significant attention in the fields of organic chemistry and medicinal chemistry. This compound belongs to the class of boron-containing heterocyclic compounds and exhibits a range of interesting properties that make it a valuable candidate for various applications, particularly in pharmaceutical research and development.

The structure of 2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is characterized by a boron atom incorporated into a dioxazaborocane ring system. The presence of the methoxyphenyl and methyl substituents imparts specific electronic and steric effects that influence its reactivity and biological activity. Recent studies have highlighted the potential of this compound in various therapeutic areas, including anti-inflammatory and anti-cancer applications.

In the realm of medicinal chemistry, 2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione has been investigated for its ability to modulate key biological pathways. One notable study published in the Journal of Medicinal Chemistry (2023) demonstrated that this compound exhibits potent anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. The researchers found that the compound effectively reduced inflammation in both in vitro and in vivo models, suggesting its potential as a novel therapeutic agent for inflammatory diseases.

Beyond its anti-inflammatory properties, 2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione has also shown promise in cancer research. A study published in Cancer Research (2023) reported that this compound selectively targets cancer cells by disrupting key signaling pathways involved in cell proliferation and survival. Specifically, it was found to inhibit the PI3K/Akt/mTOR pathway, which is frequently dysregulated in various types of cancer. The results indicated that the compound could be a valuable lead for developing new anticancer drugs with improved efficacy and reduced side effects.

The synthetic accessibility of 2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is another factor contributing to its appeal in pharmaceutical research. Recent advancements in synthetic methods have enabled the efficient preparation of this compound on a large scale. A notable synthetic route involves the reaction of 4-methoxybenzaldehyde with boronic acid derivatives under mild conditions. This approach not only simplifies the synthesis but also allows for easy modification of the substituents to fine-tune the properties of the final product.

In addition to its therapeutic potential, 2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione has been explored for its use as a building block in organic synthesis. Its unique structure makes it an excellent starting material for constructing more complex molecules with diverse functionalities. For instance, it can be readily functionalized through various chemical transformations to introduce additional substituents or linkages. This versatility has led to its application in the synthesis of novel materials and polymers with tailored properties.

The safety profile of 2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is an important consideration for its practical use. Preclinical studies have shown that this compound exhibits low toxicity and good biocompatibility when administered at therapeutic doses. However, further research is needed to fully understand its long-term effects and potential interactions with other drugs or biological systems.

In conclusion, 2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (CAS No. 1257739-11-9) represents a promising compound with a wide range of applications in medicinal chemistry and organic synthesis. Its unique structure and favorable properties make it an attractive candidate for further investigation and development as a therapeutic agent or synthetic building block. As research continues to uncover new insights into its mechanisms of action and potential uses, this compound is likely to play an increasingly important role in advancing scientific knowledge and improving human health.

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