Cas no 127838-58-8 (4-(hydroxymethyl)-1,2-dihydropyridin-2-one)

4-(Hydroxymethyl)-1,2-dihydropyridin-2-one is a versatile heterocyclic compound featuring a hydroxymethyl substituent at the 4-position of a dihydropyridinone scaffold. This structure imparts reactivity useful in synthetic organic chemistry, particularly as a building block for pharmaceuticals and agrochemicals. The hydroxymethyl group enhances solubility and provides a handle for further functionalization, enabling modifications such as esterification or etherification. Its dihydropyridinone core is a key motif in bioactive molecules, contributing to applications in medicinal chemistry. The compound’s stability under mild conditions and compatibility with diverse reaction conditions make it a valuable intermediate for research and industrial synthesis.
4-(hydroxymethyl)-1,2-dihydropyridin-2-one structure
127838-58-8 structure
Product Name:4-(hydroxymethyl)-1,2-dihydropyridin-2-one
CAS No:127838-58-8
MF:C6H7NO2
MW:125.125281572342
MDL:MFCD17015983
CID:103085
PubChem ID:11094610
Update Time:2025-11-01

4-(hydroxymethyl)-1,2-dihydropyridin-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-(Hydroxymethyl)pyridin-2(1H)-one
    • 2(1H)-Pyridinone,4-(hydroxymethyl)-
    • 4-(Hydroxymethyl)-2(1H)-pyridinone
    • 4-hydroxymethyl-1H-pyridin-2-one
    • 4-hydroxymethyl-2-pyridone
    • 4-(Hydroxymethyl)-2(1H)-p...
    • 2-Hydroxypyridine-4-methanol
    • 4-(Hydroxymethyl)pyridin-2-ol
    • 2(1H)-Pyridinone,4-(hydroxymethyl)-(9CI)
    • 4-(hydroxymethyl)-1,2-dihydropyridin-2-one
    • 4-(hydroxymethyl)-1H-pyridin-2-one
    • 2(1H)-PYRIDINONE, 4-(HYDROXYMETHYL)-
    • 2-Hydroxy-4-(methanol)pyridine
    • NVWMXLBVGGYAQW-UHFFFAOYSA-N
    • RP08807
    • PB31863
    • DS-15148
    • DTXSID40454886
    • MFCD17015983
    • SY098658
    • W-205287
    • CS-0033712
    • SCHEMBL1161397
    • A889143
    • AKOS006358254
    • 127838-58-8
    • EN300-254998
    • AM20050749
    • FT-0684805
    • Z1203733303
    • AKOS015943338
    • DA-12999
    • MDL: MFCD17015983
    • Inchi: 1S/C6H7NO2/c8-4-5-1-2-7-6(9)3-5/h1-3,8H,4H2,(H,7,9)
    • InChI Key: NVWMXLBVGGYAQW-UHFFFAOYSA-N
    • SMILES: OCC1C=CNC(C=1)=O

Computed Properties

  • Exact Mass: 125.04800
  • Monoisotopic Mass: 125.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 182
  • 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: 49.3
  • XLogP3: -1.1

Experimental Properties

  • Density: 1.225
  • Boiling Point: 428.035 °C at 760 mmHg
  • Flash Point: 212.668 °C
  • PSA: 53.09000
  • LogP: -0.13280

4-(hydroxymethyl)-1,2-dihydropyridin-2-one Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-(hydroxymethyl)-1,2-dihydropyridin-2-one Production Method

Additional information on 4-(hydroxymethyl)-1,2-dihydropyridin-2-one

Professional Introduction to Compound with CAS No. 127838-58-8 and Product Name: 4-(hydroxymethyl)-1,2-dihydropyridin-2-one

The compound identified by the CAS number 127838-58-8 and the product name 4-(hydroxymethyl)-1,2-dihydropyridin-2-one represents a significant area of interest in the field of pharmaceutical chemistry and bioorganic synthesis. This heterocyclic compound, belonging to the dihydropyridinone class, has garnered attention due to its structural versatility and potential applications in medicinal chemistry. The presence of a hydroxymethyl group at the 4-position of the dihydropyridine ring introduces unique reactivity and functionalization possibilities, making it a valuable scaffold for the development of novel therapeutic agents.

Recent advancements in synthetic methodologies have enabled more efficient and scalable preparations of 4-(hydroxymethyl)-1,2-dihydropyridin-2-one, facilitating its exploration in various chemical transformations. The compound’s ability to undergo diverse reactions, such as oxidation, reduction, and nucleophilic additions, underscores its utility as a building block in organic synthesis. Furthermore, its structural motif is reminiscent of biologically active molecules, prompting investigations into its pharmacological properties.

In the realm of drug discovery, 4-(hydroxymethyl)-1,2-dihydropyridin-2-one has been studied for its potential role in modulating enzyme activity and interacting with biological targets. For instance, derivatives of this compound have shown promise in inhibiting specific kinases and other enzymes implicated in metabolic disorders. The hydroxymethyl functionality serves as a key pharmacophore, enabling selective binding to target proteins while minimizing off-target effects. This has led to interest in exploring its efficacy as an inhibitor or modulator in preclinical models.

One of the most compelling aspects of 4-(hydroxymethyl)-1,2-dihydropyridin-2-one is its adaptability in medicinal chemistry libraries. Researchers have leveraged its scaffold to design analogs with enhanced bioavailability, improved solubility, and optimized pharmacokinetic profiles. The dihydropyridinone core is particularly amenable to derivatization through functional group interconversions, allowing for the creation of structurally diverse compounds. Such libraries are instrumental in high-throughput screening (HTS) campaigns aimed at identifying lead compounds for further development.

The synthesis of 4-(hydroxymethyl)-1,2-dihydropyridin-2-one typically involves multi-step reactions that highlight modern synthetic techniques. For example, condensation reactions between appropriate aldehydes and ketones can yield the dihydropyridine core, which is subsequently functionalized at the 4-position by introducing a hydroxymethyl group via reduction or other suitable methods. Advances in catalytic systems have further refined these processes, reducing reaction times and improving yields. Such improvements are critical for industrial-scale production and ensure cost-effective access to this valuable intermediate.

From a computational chemistry perspective, 4-(hydroxymethyl)-1,2-dihydropyridin-2-one has been subjected to molecular modeling studies to elucidate its interactions with biological targets. These studies provide insights into binding affinities, enzyme kinetics, and potential side effects. The integration of quantum mechanical calculations with experimental data has enhanced our understanding of how this compound behaves within biological systems. Such computational approaches are increasingly essential in guiding synthetic modifications and optimizing drug-like properties.

The pharmaceutical industry has shown particular interest in 4-(hydroxymethyl)-1,2-dihydropyridin-2-one due to its potential applications in treating neurological disorders and cardiovascular conditions. Preliminary studies suggest that derivatives of this compound may exhibit neuroprotective effects by modulating calcium signaling pathways. Additionally, their structural similarity to known vasodilators has prompted investigations into their cardiovascular benefits. These findings underscore the importance of exploring novel heterocyclic compounds like 4-(hydroxymethyl)-1,2-dihydropyridin-2-one as therapeutic candidates.

In conclusion,4-(hydroxymethyl)-1,2-dihydropyridin-2-one (CAS No. 127838-58-8) represents a versatile and promising scaffold in pharmaceutical chemistry. Its unique structural features and reactivity make it an attractive candidate for further research and development. As synthetic methodologies continue to evolve and computational tools become more sophisticated, hydroxymethyl-substituted dihydropyridinones like this one will undoubtedly play a significant role in advancing drug discovery efforts across multiple therapeutic areas.

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