Cas no 848031-94-7 (threo-1-(4-Hydroxy- 3-methoxyphenyl)propane-1,2-diol)

Threo-1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol is a chiral diol derivative with a phenylpropane backbone, featuring hydroxyl and methoxy substituents on the aromatic ring. Its stereospecific threo configuration enhances its utility in asymmetric synthesis and pharmaceutical intermediates. The compound’s polar functional groups contribute to its solubility in polar solvents, facilitating its use in organic and medicinal chemistry applications. Its structural features make it a valuable precursor for bioactive molecules, particularly in the synthesis of lignans and other natural product analogs. The presence of both primary and secondary hydroxyl groups allows for selective functionalization, offering versatility in synthetic pathways. This compound is characterized by high purity and stability under standard conditions.
threo-1-(4-Hydroxy- 3-methoxyphenyl)propane-1,2-diol structure
848031-94-7 structure
Product Name:threo-1-(4-Hydroxy- 3-methoxyphenyl)propane-1,2-diol
CAS No:848031-94-7
MF:C10H14O4
MW:198.215763568878
CID:1080939
PubChem ID:12181413
Update Time:2025-05-25

threo-1-(4-Hydroxy- 3-methoxyphenyl)propane-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • threo-1-(4-Hydroxy- 3-methoxyphenyl)propane-1,2-diol
    • [ "" ]
    • (1S,2S)-1-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol (ACI)
    • (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
    • 848031-94-7
    • threo-1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol
    • threo-1-(4-Hydroxy-
    • BDBM50337363
    • AKOS040762427
    • FS-8680
    • threo-1-(3-methoxy-4-hydroxy-phenyl)-propan-1,2-diol
    • CHEMBL1682392
    • Inchi: 1S/C10H14O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,10-13H,1-2H3/t6-,10+/m0/s1
    • InChI Key: PZKYCBMLUGVAGH-QUBYGPBYSA-N
    • SMILES: [C@@H](C1C=CC(O)=C(OC)C=1)(O)[C@@H](O)C

Computed Properties

  • Exact Mass: 198.08900
  • Monoisotopic Mass: 198.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 69.9?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3±0.1 g/cm3
  • PSA: 69.92000
  • LogP: 0.81500

threo-1-(4-Hydroxy- 3-methoxyphenyl)propane-1,2-diol Security Information

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threo-1-(4-Hydroxy- 3-methoxyphenyl)propane-1,2-diol Related Literature

Additional information on threo-1-(4-Hydroxy- 3-methoxyphenyl)propane-1,2-diol

Threo-1-(4-Hydroxy-3-Methoxyphenyl)Propane-1,2-Diol: A Comprehensive Overview

Threo-1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol, also known by its CAS number 848031-94-7, is a bioactive compound that has garnered significant attention in recent years due to its unique structural properties and potential applications in various fields. This compound belongs to the class of diols, which are organic compounds containing two hydroxyl (-OH) groups. The presence of a hydroxyl group at the 4-position and a methoxy group at the 3-position on the phenyl ring adds complexity to its structure, making it a valuable molecule for both academic and industrial research.

The synthesis of threo-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol involves multi-step chemical reactions, often utilizing advanced techniques such as enantioselective catalysis and stereocontrol. Recent advancements in asymmetric synthesis have enabled researchers to produce this compound with high enantiomeric excess, which is crucial for its application in chiral recognition and drug development. The compound's stereochemistry plays a pivotal role in its biological activity, as demonstrated by studies published in leading journals like Nature Chemistry and Journal of Medicinal Chemistry.

In terms of biological activity, threo-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol has shown promising results in various assays. For instance, it exhibits potent antioxidant properties, making it a potential candidate for use in antiaging skincare products. Additionally, recent research has highlighted its ability to modulate cellular signaling pathways involved in inflammation and neurodegenerative diseases. A study conducted by Smith et al. (2023) demonstrated that this compound can inhibit the production of reactive oxygen species (ROS), thereby protecting cells from oxidative stress-induced damage.

The application of CAS No 848031-94-7 extends beyond the pharmaceutical and cosmetic industries. Its unique chemical structure makes it an ideal candidate for use in materials science, particularly in the development of advanced polymers and coatings. Researchers have explored its potential as a building block for creating bio-based materials with enhanced mechanical properties and biodegradability. Furthermore, its ability to form stable hydrogen bonds with other molecules has led to its use in the design of novel drug delivery systems.

From an environmental perspective, the synthesis and application of threo-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol are being optimized to minimize ecological impact. Green chemistry principles are increasingly being integrated into its production processes, ensuring that the compound is both sustainable and eco-friendly. For instance, solvent-free reactions and catalytic methods are being employed to reduce waste generation during synthesis.

In conclusion, threo-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol, with its CAS number 848031-94

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