Cas no 4857-00-5 (1-(1H-1,3-benzodiazol-2-yl)propan-1-ol)

1-(1H-1,3-Benzodiazol-2-yl)propan-1-ol is a benzimidazole derivative characterized by its versatile reactivity and potential applications in organic synthesis and pharmaceutical intermediates. The compound features a hydroxyl group adjacent to the benzimidazole core, enhancing its utility as a building block for further functionalization. Its structural framework allows for modifications at both the propanol side chain and the heterocyclic ring, making it valuable in the development of biologically active molecules. The benzimidazole moiety contributes to stability and binding affinity, while the alcohol functionality provides a handle for derivatization. This compound is suitable for research in medicinal chemistry and material science due to its balanced reactivity and synthetic flexibility.
1-(1H-1,3-benzodiazol-2-yl)propan-1-ol structure
4857-00-5 structure
Product Name:1-(1H-1,3-benzodiazol-2-yl)propan-1-ol
CAS No:4857-00-5
MF:C10H12N2O
MW:176.215082168579
MDL:MFCD08163406
CID:854316
PubChem ID:16451104
Update Time:2026-04-29

1-(1H-1,3-benzodiazol-2-yl)propan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-2-methanol,alpha-ethyl-(9CI)
    • 1-(1H-1,3-benzodiazol-2-yl)propan-1-ol
    • MDL: MFCD08163406
    • Inchi: InChI=1S/C10H12N2O/c1-2-9(13)10-11-7-5-3-4-6-8(7)12-10/h3-6,9,13H,2H2,1H3,(H,11,12)
    • InChI Key: VWVCKMRVMBKZSZ-UHFFFAOYSA-N
    • SMILES: CCC(C1=NC2=CC=CC=C2N1)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2

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Additional information on 1-(1H-1,3-benzodiazol-2-yl)propan-1-ol

Compound CAS No. 4857-00-5: 1-(1H-1,3-Benzodiazol-2-yl)propan-1-ol

The compound CAS No. 4857-00-5, also known as 1-(1H-1,3-benzodiazol-2-yl)propan-1-ol, is a versatile organic molecule with significant applications in various fields of chemistry and materials science. This compound belongs to the class of benzodiazole derivatives, which have been extensively studied due to their unique electronic properties and potential for use in advanced materials. The structure of this compound consists of a benzodiazole ring attached to a propanol group, which introduces both aromatic and hydroxyl functionalities into the molecule.

Recent studies have highlighted the importance of benzodiazole derivatives in the development of novel materials for optoelectronic applications. For instance, researchers have explored the use of benzodiazole-containing polymers in organic light-emitting diodes (OLEDs) and photovoltaic devices. The incorporation of the propanol group in this compound further enhances its versatility, as it can act as a site for functionalization or serve as a solvent in certain chemical reactions.

In terms of synthesis, 1-(1H-1,3-benzodiazol-2-yl)propan-1-ol can be prepared through various methods, including nucleophilic aromatic substitution and coupling reactions. These methods allow for precise control over the structure and properties of the resulting compound. Recent advancements in catalytic systems have enabled more efficient and selective syntheses of benzodiazole derivatives, making them more accessible for industrial applications.

The physical properties of this compound are also noteworthy. It exhibits good solubility in polar solvents due to the presence of the hydroxyl group, which facilitates its use in solution-based chemical processes. Additionally, its thermal stability has been studied extensively, making it suitable for high-temperature applications such as thermal curing or polymerization reactions.

In the context of biological applications, benzodiazole derivatives have shown promise as potential drug candidates. For example, certain analogs have demonstrated anti-inflammatory and antioxidant activities, suggesting their potential use in pharmaceutical formulations. The hydroxyl group in this compound could further enhance its bioavailability and interaction with biological systems.

From a materials science perspective, the combination of aromaticity and hydroxyl functionality in this compound makes it an attractive candidate for use in hybrid materials and nanocomposites. Researchers have explored its potential as a building block for self-assembled monolayers and surface-modifying agents, which are critical components in nanotechnology.

In summary, CAS No. 4857-00-5, or 1-(1H-1,3-benzodiazol-2-yloxy)propanal, is a multifaceted compound with a wide range of applications across chemistry and materials science. Its unique structure and functional groups make it an invaluable tool for researchers seeking to develop innovative solutions in various industries.

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