Cas no 62457-35-6 (1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane)

1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane is a specialized chemical compound featuring a tetrahydrophthalimide moiety linked to a dihydroxypropane group. This structure imparts unique reactivity, making it valuable in synthetic organic chemistry, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and functional materials. The presence of hydroxyl groups enhances its solubility in polar solvents, facilitating further derivatization. Its tetrahydrophthalimide core contributes to stability while allowing selective modifications. The compound is particularly useful in asymmetric synthesis and as a building block for biologically active molecules. Careful handling is recommended due to its potential sensitivity to moisture and reactive conditions.
1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane structure
62457-35-6 structure
Product Name:1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane
CAS No:62457-35-6
MF:C11H11NO4
MW:221.209343194962
CID:444129
PubChem ID:13166848
Update Time:2025-08-05

1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane Chemical and Physical Properties

Names and Identifiers

    • 1H-Isoindole-1,3(2H)-dione, 2-(2,3-dihydroxypropyl)-
    • 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane
    • 2-(2,3-dihydroxypropyl)isoindole-1,3-dione
    • 2-(2,3-dihydroxypropyl)isoindoline-1,3-dione
    • AKOS009029248
    • 2-(2,3-Dihydroxypropyl)-1H-isoindole-1,3(2H)-dione
    • 62457-35-6
    • SCHEMBL5798484
    • DTXSID40524215
    • SB65744
    • DB-291606
    • 3-Phthalimidylpropane-1,2-diol
    • Inchi: 1S/C11H11NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,7,13-14H,5-6H2
    • InChI Key: GUUVCKWUQHAMTB-UHFFFAOYSA-N
    • SMILES: OC(CO)CN1C(C2C=CC=CC=2C1=O)=O

Computed Properties

  • Exact Mass: 221.06883
  • Monoisotopic Mass: 221.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 280
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.84

1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane Pricemore >>

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Additional information on 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane

Introduction to 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane (CAS No. 62457-35-6)

1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane, identified by the Chemical Abstracts Service Number (CAS No.) 62457-35-6, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal biology. This molecule, featuring a tetrahydrophthalimido moiety linked to a 2,3-dihydroxypropane backbone, exhibits unique structural and functional properties that make it a valuable candidate for further research and development in drug discovery.

The tetrahydrophthalimido group is a well-known pharmacophore that contributes to the compound's ability to interact with biological targets in a specific manner. This moiety is often found in bioactive molecules due to its ability to enhance binding affinity and selectivity. In contrast, the 2,3-dihydroxypropane moiety introduces hydroxyl functional groups that can participate in hydrogen bonding interactions, further modulating the compound's pharmacological profile.

Recent advancements in computational chemistry and molecular modeling have enabled researchers to gain deeper insights into the structural and dynamic properties of 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane. These studies have highlighted the compound's potential as a scaffold for designing novel therapeutic agents. Specifically, the rigid tetrahydrophthalimido ring provides a stable platform for functionalization, while the flexible 2,3-dihydroxypropane chain allows for conformational adjustments that optimize interactions with biological targets.

In the realm of drug discovery, the synthesis and characterization of 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane have been accompanied by efforts to explore its biological activity. Preliminary studies suggest that this compound may exhibit properties relevant to various therapeutic areas. For instance, its structural features could make it a promising candidate for inhibiting enzymes involved in metabolic pathways or for modulating signaling pathways associated with inflammation and neurodegeneration.

The synthesis of 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane involves multi-step organic reactions that require careful optimization to ensure high yield and purity. The introduction of the tetrahydrophthalimido group typically involves cyclization reactions followed by functional group transformations to introduce the hydroxyl groups on the 2,3-dihydroxypropane backbone. Advanced synthetic techniques such as catalytic hydrogenation and protecting group strategies are often employed to achieve the desired molecular architecture.

One of the most compelling aspects of studying 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane is its potential as a lead compound for developing new drugs. By leveraging structure-activity relationship (SAR) studies and molecular docking simulations, researchers can systematically modify various parts of the molecule to enhance its pharmacological properties. This iterative approach has been successfully applied in other areas of medicinal chemistry and holds promise for generating novel therapeutic agents with improved efficacy and reduced side effects.

The chemical properties of 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane, including its solubility profile and stability under various conditions, are also critical factors to consider in drug development. These properties influence formulation design and determine how well the compound can be delivered to biological targets. Advanced analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) have been instrumental in characterizing the compound's molecular structure and purity.

As research in this field progresses, interdisciplinary collaborations between chemists、biologists、and pharmacologists will be essential for translating laboratory findings into clinical applications. The study of compounds like 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane underscores the importance of understanding both chemical reactivity and biological function in drug discovery. By integrating knowledge from multiple disciplines, scientists can accelerate the development of new therapies that address unmet medical needs.

In conclusion, 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane (CAS No. 62457-35-6) represents a fascinating molecule with potential applications in pharmaceutical chemistry。 Its unique structural features、synthetic accessibility、and biological relevance make it a compelling subject for further investigation。 As research continues to uncover new insights into its properties, this compound could emerge as a valuable tool in the development of next-generation therapeutic agents.

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