Cas no 861135-89-9 ((1-tert-butyl-1H-pyrazol-4-yl)methanol)

(1-tert-Butyl-1H-pyrazol-4-yl)methanol is a versatile heterocyclic building block featuring a pyrazole core substituted with a tert-butyl group and a hydroxymethyl functional group. This compound is particularly valuable in medicinal chemistry and organic synthesis due to its stability and reactivity, enabling its use as an intermediate in the development of pharmaceuticals and agrochemicals. The tert-butyl group enhances steric hindrance, potentially improving selectivity in reactions, while the hydroxymethyl moiety offers a handle for further derivatization. Its well-defined structure and purity make it suitable for precise applications in ligand design and catalytic systems. The compound is typically handled under standard laboratory conditions, ensuring consistent performance in synthetic workflows.
(1-tert-butyl-1H-pyrazol-4-yl)methanol structure
861135-89-9 structure
Product Name:(1-tert-butyl-1H-pyrazol-4-yl)methanol
CAS No:861135-89-9
MF:C8H14N2O
MW:154.209561824799
MDL:MFCD11840198
CID:1119367
PubChem ID:43753535
Update Time:2025-05-20

(1-tert-butyl-1H-pyrazol-4-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • 1-(1,1-dimethylethyl)-1H-Pyrazole-4-methanol
    • (1-tert-butyl-1H-pyrazol-4-yl)methanol
    • LLFDPQHSIQKDQD-UHFFFAOYSA-N
    • (1-t-butyl-1H-pyrazol-4-yl)methanol
    • CS-0379587
    • EN300-269503
    • (1-(tert-Butyl)-1H-pyrazol-4-yl)methanol
    • 861135-89-9
    • (1-tert-butylpyrazol-4-yl)methanol
    • SCHEMBL3765275
    • starbld0011922
    • AT14453
    • MDL: MFCD11840198
    • Inchi: 1S/C8H14N2O/c1-8(2,3)10-5-7(6-11)4-9-10/h4-5,11H,6H2,1-3H3
    • InChI Key: LLFDPQHSIQKDQD-UHFFFAOYSA-N
    • SMILES: OCC1C=NN(C=1)C(C)(C)C

Computed Properties

  • Exact Mass: 154.110613074g/mol
  • Monoisotopic Mass: 154.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 131
  • 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: 38?2

(1-tert-butyl-1H-pyrazol-4-yl)methanol Pricemore >>

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Additional information on (1-tert-butyl-1H-pyrazol-4-yl)methanol

Introduction to Compound CAS No. 861135-89-9: (1-tert-butyl-1H-pyrazol-4-yl)methanol

(1-tert-butyl-1H-pyrazol-4-yl)methanol, identified by the CAS registry number 861135-89-9, is a chemical 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 pyrazoles, which are five-membered aromatic heterocycles containing two adjacent nitrogen atoms. The presence of a tert-butyl group and a methanol substituent in its structure contributes to its distinct chemical and physical properties.

The synthesis of (1-tert-butyl-1H-pyrazol-4-yl)methanol involves a series of carefully designed reactions, often employing catalytic methods or multi-component reactions. Recent advancements in catalytic asymmetric synthesis have enabled the efficient production of this compound with high enantiomeric excess, making it more accessible for research and industrial applications. The tert-butyl group plays a crucial role in stabilizing the molecule through steric effects, while the hydroxymethyl group introduces hydrophilic properties, enhancing its solubility in polar solvents.

One of the most promising applications of this compound lies in the field of drug discovery. Pyrazoles are known for their ability to act as ligands in metalloenzyme inhibition, and the addition of a tert-butyl group further enhances this property. Recent studies have demonstrated that (1-tert-butyl-1H-pyrazol-4-yl)methanol exhibits potent inhibitory activity against certain kinases, making it a potential candidate for anti-cancer drug development. Furthermore, its hydroxymethyl group allows for easy functionalization, enabling researchers to explore various derivatives with enhanced bioactivity.

In addition to its biological applications, this compound has also found utility in materials science. The pyrazole ring's aromaticity and electron-withdrawing properties make it suitable for use in organic electronics. Recent research has focused on incorporating (1-tert-butyl-1H-pyrazol-4-yl)methanol into polymer frameworks to enhance their electrical conductivity and thermal stability. These findings highlight its potential as a building block for advanced materials with applications in flexible electronics and energy storage devices.

The environmental impact of (1-tert-butyl-1H-pyrazol-4-yl)methanol has also been a subject of recent investigation. Studies have shown that this compound exhibits low toxicity towards aquatic organisms, suggesting its potential as an eco-friendly alternative to traditional chemicals used in agriculture and industry. However, further research is required to fully understand its long-term environmental effects and degradation pathways.

In conclusion, (1-tert-butyl-1H-pyrazol-4-yllmethanol, with its unique chemical structure and versatile properties, represents a valuable addition to the arsenal of compounds available for scientific exploration. Its applications span across drug discovery, materials science, and environmental chemistry, underscoring its importance as a multi-functional chemical entity. As research continues to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly significant role in advancing technological and medical frontiers.

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