Cas no 101192-76-1 (3-Pyridinol, 6-(phenylmethyl)-)

3-Pyridinol, 6-(phenylmethyl)-, is a heterocyclic organic compound featuring a pyridine core substituted with a hydroxymethyl group at the 3-position and a phenylmethyl (benzyl) group at the 6-position. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. Its aromatic and polar functional groups enhance its utility in cross-coupling reactions, nucleophilic substitutions, and as a building block for complex molecules. The compound's stability under standard conditions and compatibility with various reaction conditions further underscore its versatility in organic synthesis. Proper handling and storage are recommended to maintain its integrity for specialized applications.
3-Pyridinol, 6-(phenylmethyl)- structure
101192-76-1 structure
Product Name:3-Pyridinol, 6-(phenylmethyl)-
CAS No:101192-76-1
MF:C12H11NO
MW:185.221843004227
CID:1128064
PubChem ID:13978806
Update Time:2025-05-22

3-Pyridinol, 6-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinol, 6-(phenylmethyl)-
    • 6-benzyl-3-pyridinol
    • 6-benzyl-pyridin-3-ol
    • SCHEMBL1602934
    • SB53360
    • 101192-76-1
    • CS-16645
    • 2-benzyl-5-hydroxypyridine
    • BEA19276
    • SSMQDOOSQWULCT-UHFFFAOYSA-N
    • D72182
    • CS-0101991
    • 6-benzylpyridin-3-ol
    • AKOS022641925
    • Inchi: 1S/C12H11NO/c14-12-7-6-11(13-9-12)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2
    • InChI Key: SSMQDOOSQWULCT-UHFFFAOYSA-N
    • SMILES: OC1=CN=C(C=C1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 185.08413
  • Monoisotopic Mass: 185.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 166
  • 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: 2.5
  • Topological Polar Surface Area: 33.1?2

Experimental Properties

  • PSA: 33.12

3-Pyridinol, 6-(phenylmethyl)- Pricemore >>

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Additional information on 3-Pyridinol, 6-(phenylmethyl)-

3-Pyridinol, 6-(phenylmethyl)- (CAS No. 101192-76-1)

The compound 3-Pyridinol, 6-(phenylmethyl)-, also known by its CAS registry number 101192-76-1, is an organic compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is a derivative of pyridine, a six-membered aromatic heterocycle with one nitrogen atom. The presence of the hydroxyl group at the 3-position and the phenylmethyl substituent at the 6-position introduces unique electronic and steric properties, making it a versatile molecule for various applications.

Recent studies have highlighted the potential of 3-Pyridinol, 6-(phenylmethyl)- in drug design and development. Its ability to act as a ligand in metalloenzyme mimics has been explored in medicinal chemistry. Researchers have found that the phenylmethyl group enhances the molecule's solubility and bioavailability, making it a promising candidate for drug delivery systems. Furthermore, its hydroxyl group can participate in hydrogen bonding, which is crucial for interactions with biological targets.

In terms of synthesis, 3-Pyridinol, 6-(phenylmethyl)- can be prepared through various methods, including nucleophilic aromatic substitution and catalytic hydrogenation. The choice of synthesis route depends on the desired purity and scale of production. Recent advancements in catalytic systems have enabled more efficient and environmentally friendly syntheses, reducing the overall cost and environmental impact.

The physical and chemical properties of 3-Pyridinol, 6-(phenylmethyl)- are well-documented. It has a melting point of approximately 150°C and is soluble in common organic solvents such as dichloromethane and ethanol. Its UV-Vis spectrum shows strong absorption bands due to the conjugated aromatic system, making it suitable for applications in optoelectronics and sensing technologies.

One of the most exciting developments involving 3-Pyridinol, 6-(phenylmethyl)- is its use in the development of advanced materials. Researchers have utilized this compound as a building block for constructing coordination polymers and metal-organic frameworks (MOFs). These materials exhibit high porosity and surface area, making them ideal for gas storage and separation applications.

In addition to its material science applications, 3-Pyridinol, 6-(phenylmethyl)- has shown potential in catalysis. Its ability to coordinate with transition metals makes it a valuable ligand in homogeneous catalysis. Recent studies have demonstrated its effectiveness in promoting asymmetric catalysis reactions, which are critical for producing enantiomerically pure compounds used in pharmaceuticals.

The environmental impact of 3-Pyridinol, 6-(phenylmethyl)- has also been a topic of interest. Researchers have investigated its biodegradation pathways under various conditions. Results indicate that the compound undergoes rapid microbial degradation under aerobic conditions, suggesting its low environmental persistence.

In conclusion, 3-Pyridinol, 6-(phenylmethyl)- (CAS No. 101192-76-1) is a multifaceted compound with diverse applications across multiple disciplines. Its unique chemical properties make it an invaluable tool in drug design, materials science, and catalysis. As research continues to uncover new potential uses for this compound, it is poised to play an increasingly important role in both academic and industrial settings.

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