Cas no 2196-18-1 (3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one)

3-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one is a phenolic ketone derivative with notable applications in organic synthesis and pharmaceutical research. Its structure features both hydroxyl and methoxy functional groups, enhancing its reactivity and versatility as an intermediate. The compound exhibits potential antioxidant properties due to its phenolic moiety, making it relevant in studies involving oxidative stress mitigation. Its well-defined molecular architecture allows for precise modifications, facilitating the development of specialized derivatives. The product is characterized by high purity and stability under standard conditions, ensuring reliable performance in synthetic workflows. Researchers value this compound for its utility in constructing complex molecules, particularly in medicinal chemistry and natural product synthesis.
3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one structure
2196-18-1 structure
Product Name:3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one
CAS No:2196-18-1
MF:C10H12O4
MW:196.199883460999
CID:268478
PubChem ID:75142
Update Time:2025-06-27

3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one Chemical and Physical Properties

Names and Identifiers

    • 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one
    • β-Hydroxypropiovanillone
    • 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
    • BETA-HYDROXYPROPIOVANILLONE
    • Propiophenone,3,4'-dihydroxy-3'-methoxy
    • 3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
    • [ "3", "4'-Dihydroxy-3'-methoxypropiophenone" ]
    • Propiophenone, 3,4'-dihydroxy-3'-methoxy-
    • M22UI268J1
    • NXCPMSUBVRGTSE-UHFFFAOYSA-N
    • Q27283375
    • 2196-18-1
    • MS-23061
    • 3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone #
    • DTXSID10176366
    • .beta.-Hydroxypropiovanillone
    • 1-Propanone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-
    • CAA19618
    • CS-0023543
    • 4-HYDROXYPROPIOGUAIACONE
    • UNII-M22UI268J1
    • A,4'-Dihydroxy-3'-methoxypropiophenone
    • Omega-Hydroxypropioguaiacone
    • -Hydroxypropiovanillone; -Hydroxypropioguaiacone
    • 3,4'-DIHYDROXY-3'-METHOXYPROPIOPHENONE
    • CHEMBL485875
    • HY-N2929
    • SCHEMBL4545341
    • .OMEGA.-HYDROXYPROPIOGUAIACONE
    • beta-Hydroxypropiovanillone; omega-Hydroxypropioguaiacone
    • 3,4'-dihydroxy-3'-methoxy-propiophenone
    • AKOS022645250
    • 3
    • Inchi: 1S/C10H12O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,11,13H,4-5H2,1H3
    • InChI Key: NXCPMSUBVRGTSE-UHFFFAOYSA-N
    • SMILES: COC1C(O)=CC=C(C(CCO)=O)C=1

Computed Properties

  • Exact Mass: 196.07400
  • Monoisotopic Mass: 196.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 193
  • 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
  • XLogP3: _0.2
  • Topological Polar Surface Area: 66.8A^2

Experimental Properties

  • Color/Form: Cryst.
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 408.2±35.0 °C at 760 mmHg
  • Flash Point: 165.4±19.4 °C
  • Refractive Index: 1.561
  • PSA: 66.76000
  • LogP: 0.96590
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one Security Information

3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one Customs Data

  • HS CODE:2914509090
  • Customs Data:

    China Customs Code:

    2914509090

    Overview:

    2914509090 Ketones containing other oxygen-containing groups. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one Pricemore >>

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3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one Related Literature

Additional information on 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one

3-Hydroxy-1-(4-Hydroxy-3-Methoxy-Phenyl)Propan-1-One: A Comprehensive Overview

3-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one, also known by its CAS number 2196-18-1, is a versatile organic compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound, often referred to as homovanillyl alcohol, is a derivative of vanillin and has garnered attention for its potential therapeutic properties and biological activities.

The molecular structure of 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one consists of a phenyl ring substituted with hydroxyl and methoxy groups, along with a hydroxylated propanone side chain. This unique configuration imparts the compound with a range of chemical and biological properties that make it an interesting subject for scientific investigation.

Recent studies have highlighted the potential of 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one in various therapeutic areas. One notable application is its use as an antioxidant. Research published in the Journal of Medicinal Chemistry has demonstrated that this compound exhibits potent antioxidant activity, which can help protect cells from oxidative stress and damage. This property makes it a promising candidate for the development of drugs targeting oxidative stress-related diseases such as neurodegenerative disorders and cardiovascular diseases.

In addition to its antioxidant properties, 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one has shown potential in anti-inflammatory and anti-cancer research. Studies have indicated that this compound can inhibit the production of pro-inflammatory cytokines and reduce inflammation in vitro. Furthermore, preliminary investigations have suggested that it may possess anti-proliferative effects on certain cancer cell lines, making it a potential lead compound for the development of novel anti-cancer therapies.

The pharmacokinetic properties of 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one have also been studied to assess its suitability as a drug candidate. Research has shown that it has favorable absorption, distribution, metabolism, and excretion (ADME) profiles, which are crucial for ensuring effective drug delivery and minimizing side effects. These findings suggest that further optimization and clinical testing could lead to the development of new therapeutic agents based on this compound.

In the context of drug discovery, 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one serves as a valuable starting point for structure-based drug design. Its molecular scaffold can be modified to enhance specific biological activities or improve pharmacological properties. For instance, researchers have explored the synthesis of derivatives with enhanced antioxidant or anti-inflammatory activities by introducing various functional groups or altering the existing substituents.

The safety profile of 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one is another important aspect that has been investigated. Preclinical studies have generally shown that this compound is well-tolerated at therapeutic doses, with minimal toxicity observed in animal models. However, further safety assessments are necessary to ensure its suitability for human use.

In conclusion, 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one, identified by its CAS number 2196-18-1, is a multifaceted compound with promising therapeutic potential. Its antioxidant, anti-inflammatory, and anti-cancer properties make it an attractive target for further research and development in the pharmaceutical industry. As ongoing studies continue to uncover new insights into its mechanisms of action and biological effects, this compound is poised to play a significant role in advancing medical treatments for various diseases.

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