Cas no 39115-22-5 (1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)-)

1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)-, is a specialized diol compound featuring both hydroxyl and methoxy functional groups on an aromatic ring. Its bifunctional structure enables versatile reactivity, making it valuable in organic synthesis and polymer applications. The presence of the phenolic hydroxyl group enhances its potential as an intermediate for antioxidants, pharmaceuticals, and fine chemicals. The methoxy substituent further modifies its solubility and electronic properties, facilitating selective reactions. This compound exhibits stability under standard conditions while remaining amenable to further derivatization. Its balanced hydrophilicity and lipophilicity contribute to utility in formulations requiring controlled polarity. The structural features suggest applicability in crosslinking reactions and as a building block for advanced materials.
1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- structure
39115-22-5 structure
Product Name:1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)-
CAS No:39115-22-5
MF:C11H16O4
MW:212.242343902588
CID:1506344
PubChem ID:85804216
Update Time:2025-11-02

1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)-
    • 4-(4-hydroxy-3-methoxyphenyl)butane-1,2-diol
    • 39115-22-5
    • AKOS040762925
    • Inchi： 1S/C11H16O4/c1-15-11-6-8(3-5-10(11)14)2-4-9(13)7-12/h3,5-6,9,12-14H,2,4,7H2,1H3
    • InChI Key： QRLKUDTXXCQFMV-UHFFFAOYSA-N
    • SMILES： OC(CO)CCC1C=CC(=C(C=1)OC)O

Computed Properties

  • Exact Mass: 212.10488
  • Monoisotopic Mass: 212.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 174
  • 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: 69.9?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 430.9±45.0 °C at 760 mmHg
  • Flash Point: 214.4±28.7 °C
  • PSA: 69.92
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- Security Information

1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TargetMol Chemicals
TN5772-5mg
4-(4-Hydroxy-3-methoxyphenyl)butane-1,2-diol
 39115-22-5
5mg
 ￥ 3710 2024-07-20
TargetMol Chemicals
TN5772-5 mg
4-(4-Hydroxy-3-methoxyphenyl)butane-1,2-diol
 39115-22-5 98%
5mg
 ￥ 3,710 2023-07-11
TargetMol Chemicals
TN5772-1 mL * 10 mM (in DMSO)
4-(4-Hydroxy-3-methoxyphenyl)butane-1,2-diol
 39115-22-5 98%
1 mL * 10 mM (in DMSO)
 ￥ 3810 2023-09-15
TargetMol Chemicals
TN5772-1 ml * 10 mm
4-(4-Hydroxy-3-methoxyphenyl)butane-1,2-diol
 39115-22-5
1 ml * 10 mm
 ￥ 3810 2024-07-20
TargetMol Chemicals
TN5772-5mg
4-(4-Hydroxy-3-methoxyphenyl)butane-1,2-diol
 39115-22-5
5mg
 ￥ 3710 2024-07-24
TargetMol Chemicals
TN5772-1 ml * 10 mm
4-(4-Hydroxy-3-methoxyphenyl)butane-1,2-diol
 39115-22-5
1 ml * 10 mm
 ￥ 3810 2024-07-24

1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- Related Literature

Additional information on 1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)-

Recent Advances in the Study of 1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- (CAS: 39115-22-5) in Chemical Biology and Pharmaceutical Research

The compound 1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- (CAS: 39115-22-5) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its unique phenolic and diol structural features, has demonstrated promising biological activities, including antioxidant, anti-inflammatory, and potential anticancer properties. Recent studies have focused on elucidating its mechanism of action, optimizing its synthesis, and exploring its therapeutic applications.

One of the key areas of investigation has been the compound's role as a precursor or intermediate in the synthesis of more complex bioactive molecules. Researchers have reported efficient synthetic routes to produce 1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- with high yield and purity, which is critical for its application in drug development. Advanced spectroscopic techniques, including NMR and mass spectrometry, have been employed to confirm its structural integrity and purity.

In vitro studies have revealed that this compound exhibits significant antioxidant activity, scavenging free radicals and reducing oxidative stress in cellular models. These findings suggest its potential utility in treating diseases associated with oxidative damage, such as neurodegenerative disorders and cardiovascular diseases. Additionally, preliminary data indicate that it may modulate inflammatory pathways, making it a candidate for further investigation in autoimmune and chronic inflammatory conditions.

Recent pharmacological evaluations have also explored its anticancer potential. Studies using cancer cell lines have shown that 1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- can induce apoptosis and inhibit proliferation in certain types of cancer cells. These effects are believed to be mediated through the regulation of key signaling pathways, including the MAPK and PI3K/AKT pathways. However, further in vivo studies are needed to validate these findings and assess its safety profile.

The compound's bioavailability and pharmacokinetic properties are currently under investigation. Early results suggest that it has moderate solubility and permeability, which may necessitate formulation strategies to enhance its delivery. Researchers are exploring nanoparticle-based delivery systems and prodrug approaches to improve its therapeutic efficacy.

In conclusion, 1,2-Butanediol, 4-(4-hydroxy-3-methoxyphenyl)- (CAS: 39115-22-5) represents a promising candidate for further development in the pharmaceutical and chemical biology fields. Its multifaceted biological activities, combined with advances in synthetic and analytical methodologies, position it as a valuable molecule for future research. Continued efforts to elucidate its mechanisms of action and optimize its therapeutic potential are expected to yield significant contributions to the field.

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