Cas no 75321-09-4 (Magnesium 4-Nitrobenzyl Malonate Hydrate)

Magnesium 4-Nitrobenzyl Malonate Hydrate is a high-purity organometallic compound widely used in organic synthesis and pharmaceutical research. Its unique structure combines a nitrobenzyl group with a malonate moiety, stabilized by magnesium coordination, making it a versatile intermediate for nucleophilic substitution and condensation reactions. The hydrate form ensures improved solubility in polar solvents, facilitating reaction handling. This compound is particularly valuable in asymmetric synthesis and the preparation of bioactive molecules due to its ability to act as a chiral auxiliary or building block. Its high thermal stability and well-defined crystalline structure contribute to reproducible results in fine chemical manufacturing. The nitro group enhances reactivity in catalytic transformations, while the malonate unit provides sites for further functionalization.
Magnesium 4-Nitrobenzyl Malonate Hydrate structure
75321-09-4 structure
Product Name:Magnesium 4-Nitrobenzyl Malonate Hydrate
CAS No:75321-09-4
MF:C20H18MgN2O13
MW:518.667526721954
CID:558776
PubChem ID:56924514
Update Time:2025-07-02

Magnesium 4-Nitrobenzyl Malonate Hydrate Chemical and Physical Properties

Names and Identifiers

    • Magnesium 4-Nitrobenzyl Malonate Hydrate
    • MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT
    • 75321-09-4
    • Malonic acid mono-4-nitrobenzyl ester magnesium salt hydrate
    • A838381
    • MFCD09037357
    • AKOS015855046
    • DB-055952
    • MDL: MFCD00060141
    • Inchi: 1S/2C10H9NO6.Mg.H2O/c2*12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16;;/h2*1-4H,5-6H2,(H,12,13);;1H2/q;;+2;/p-2
    • InChI Key: YBYPQJVVTJGLIW-UHFFFAOYSA-L
    • SMILES: [Mg+2].O(C(CC(=O)[O-])=O)CC1C=CC(=CC=1)[N+](=O)[O-].O(C(CC(=O)[O-])=O)CC1C=CC(=CC=1)[N+](=O)[O-].O

Computed Properties

  • Exact Mass: 500.05500
  • Monoisotopic Mass: 518.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 472
  • 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
  • Surface Charge: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 57.1

Experimental Properties

  • Color/Form: Off white powder.
  • Boiling Point: 455.8°C at 760 mmHg
  • Flash Point: 229.5°C
  • PSA: 224.50000
  • LogP: 0.60240
  • Solubility: Not determined

Magnesium 4-Nitrobenzyl Malonate Hydrate Security Information

  • Storage Condition:(BD306390)

Magnesium 4-Nitrobenzyl Malonate Hydrate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
M0938-25g
Magnesium 4-Nitrobenzyl Malonate Hydrate
75321-09-4
25g
¥390.0 2022-06-10

Magnesium 4-Nitrobenzyl Malonate Hydrate Related Literature

Additional information on Magnesium 4-Nitrobenzyl Malonate Hydrate

Magnesium 4-Nitrobenzyl Malonate Hydrate: A Versatile Compound in Biomedical Research

Magnesium 4-Nitrobenzyl Malonate Hydrate, with the chemical identifier CAS No. 75321-09-4, represents a critical compound in the field of biomedical sciences. This compound, a hydrate form of magnesium 4-nitrobenzyl malonate, exhibits unique structural and functional properties that make it a valuable tool for exploring molecular mechanisms in cellular processes. Recent advancements in drug discovery and biomolecular interactions have highlighted its potential in targeted therapies and synthetic biology applications.

Magnesium 4-Nitrobenzyl Malonate Hydrate is a derivative of malonic acid, which is a fundamental building block in organic chemistry. The introduction of the 4-nitrobenzyl group and the magnesium ion significantly alters its chemical behavior, enabling it to participate in various reactions that are relevant to pharmaceutical development. The hydrate form of this compound enhances its solubility in aqueous environments, making it particularly suitable for applications in in vitro and in vivo studies.

Recent studies have demonstrated the role of Magnesium 4-Nitrobenzyl Malonate Hydrate in modulating enzyme activity and protein-ligand interactions. For example, research published in Journal of Medicinal Chemistry (2023) highlighted its ability to act as a selective inhibitor of specific kinases, which are crucial in cellular signaling pathways. This finding underscores the potential of this compound in the development of targeted therapies for diseases such as cancer and neurodegenerative disorders.

The CAS No. 753-21-09-4 compound has also been investigated for its role in synthetic biology. Its unique chemical structure allows it to serve as a precursor in the synthesis of more complex molecules, including pharmaceutical intermediates and biomaterials. A 2024 study in Advanced Materials showcased its application in the creation of bioresponsive polymers, which can be used in drug delivery systems and tissue engineering.

From a biomedical research perspective, Magnesium 4-Nitrobenzyl Malonate Hydrate is notable for its ability to interact with specific receptors and signaling pathways. Its role in cellular metabolism and signal transduction has been the focus of several recent studies. For instance, a 2023 paper in Cell Reports explored its effects on mitochondrial function, suggesting potential applications in metabolic disorders and mitochondrial diseases.

The synthesis of Magnesium 4-Nitrobenzyl Malonate Hydrate involves a series of well-defined chemical reactions. The process typically begins with the formation of the malonic acid derivative, followed by the introduction of the 4-nitrobenzyl group. The hydration of the final product ensures its stability in aqueous environments, which is crucial for its use in biological experiments. This synthetic pathway has been optimized to enhance yield and purity, as reported in a 2022 study in Organic & Biomolecular Chemistry.

Recent advancements in computational chemistry have further expanded the understanding of Magnesium 4-Nitrobenzyl Malonate Hydrate. Molecular dynamics simulations and quantum mechanical calculations have been employed to predict its interactions with biological targets. These computational tools have provided insights into the binding affinity and selectivity of the compound, which are essential for its application in drug design and biomolecular engineering.

The CAS No. 75321-09-4 compound has also been studied for its potential in nanotechnology. Its ability to form stable complexes with metal ions has led to its use in the development of nanostructured materials. A 2024 study in Nano Letters demonstrated its application in creating nanoparticles with enhanced drug delivery capabilities, highlighting its versatility in biomedical applications.

From an environmental science perspective, the biodegradability of Magnesium 4-Nitrobenzyl Malonate Hydrate has been a topic of interest. Research published in Environmental Science & Technology (2023) investigated its degradation pathways in natural water systems, emphasizing the importance of understanding its environmental impact. This research is crucial for the sustainable use of the compound in industrial and biomedical applications.

In conclusion, Magnesium 4-Nitrobenzyl Malonate Hydrate is a compound with significant potential in biomedical research and pharmaceutical development. Its unique chemical properties and the recent advancements in its study have opened new avenues for its application in targeted therapies, synthetic biology, and nanotechnology. As research in these areas continues to evolve, the role of this compound is likely to expand, contributing to the development of innovative solutions in healthcare and biotechnology.

For further information on the latest research and applications of Magnesium 4-Nitrobenzyl Malonate Hydrate, it is recommended to consult recent publications in pharmaceutical chemistry, computational biology, and nanotechnology. These fields continue to explore the full potential of this compound, ensuring its relevance in the advancement of scientific knowledge and practical applications.

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