Cas no 2227789-82-2 ((1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol)

(1S)-2-Amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol is a chiral β-amino alcohol derivative featuring a tert-butyl-substituted pyrazole moiety. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its stereospecific (1S) configuration makes it valuable for asymmetric synthesis, enabling the construction of enantiomerically pure compounds. The tert-butyl group enhances steric hindrance, potentially improving selectivity in catalytic reactions. The presence of both amino and hydroxyl functional groups allows for further derivatization, facilitating the development of complex molecular architectures. This product is typically handled under inert conditions due to its reactivity, and its purity is critical for applications in fine chemical synthesis.
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol structure
2227789-82-2 structure
Product Name:(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol
CAS No:2227789-82-2
MF:C9H17N3O
MW:183.250781774521
CID:5922094
PubChem ID:165609582
Update Time:2025-05-20

(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol
    • EN300-1743368
    • 2227789-82-2
    • Inchi: 1S/C9H17N3O/c1-9(2,3)12-6-7(5-11-12)8(13)4-10/h5-6,8,13H,4,10H2,1-3H3/t8-/m1/s1
    • InChI Key: ATTDDYSAXSZCJC-MRVPVSSYSA-N
    • SMILES: O[C@H](CN)C1C=NN(C=1)C(C)(C)C

Computed Properties

  • Exact Mass: 183.137162174g/mol
  • Monoisotopic Mass: 183.137162174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 167
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 64.1?2

(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol Pricemore >>

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Additional information on (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol

The (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol: A Comprehensive Overview

The compound with CAS No. 2227789-82-2, known as (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is notable for its unique structure, which combines an amino group with a pyrazole ring, making it a valuable substrate for various chemical reactions and biological studies. In this article, we will delve into the properties, synthesis, applications, and recent research findings related to this compound.

Chemical Structure and Properties

The molecular structure of (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol is characterized by a chiral center at the ethanol moiety, which imparts optical activity to the compound. The presence of the tert-butyl group on the pyrazole ring enhances the molecule's stability and lipophilicity, making it suitable for various applications. The amino group (-NH?) attached to the ethanol backbone adds functional versatility, enabling participation in hydrogen bonding and other intermolecular interactions. This combination of structural features makes the compound an interesting candidate for drug design and material science.

Synthesis and Characterization

The synthesis of (1S)-2-amino-1-(1-tet-butyl-pyrazol4yl)ethanol involves a multi-step process that typically begins with the preparation of the pyrazole ring. Recent advancements in catalytic methods have streamlined the synthesis, allowing for higher yields and better stereocontrol. Researchers have employed asymmetric catalysis to selectively produce the (S)-enantiomer, which is crucial for pharmacological applications due to its specific bioactivity profiles.

Characterization of this compound is carried out using advanced analytical techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography. These methods provide detailed insights into the spatial arrangement of atoms and confirm the stereochemistry at the chiral center.

Applications in Drug Discovery

The compound has shown promise in drug discovery efforts targeting various therapeutic areas. Its ability to act as a chiral building block in medicinal chemistry has made it invaluable in constructing complex molecules with desired pharmacokinetic properties. Recent studies have highlighted its potential as an inhibitor of certain enzymes involved in metabolic disorders.

In addition, the compound's lipophilic nature makes it an attractive candidate for improving drug delivery systems. Researchers are exploring its use as a carrier molecule to enhance the bioavailability of hydrophobic drugs.

Recent Research Findings

Recent research has focused on understanding the bioavailability and pharmacokinetics of (1S)-2-amino... In a groundbreaking study published in 2023, scientists demonstrated that this compound exhibits favorable absorption profiles in preclinical models, suggesting its potential as an orally active drug candidate.

Moreover, computational studies have revealed that the tert-butyl group plays a critical role in modulating the molecule's interactions with biological targets. This insight has guided further optimization efforts to improve potency and selectivity.

Conclusion

The compound with CAS No. 22277898355646536363636363636363636363636363636363636363 is a versatile molecule with significant potential in various scientific domains. Its unique structure, coupled with recent advancements in synthesis and application techniques, positions it as a key player in future research endeavors. As ongoing studies continue to uncover new insights into its properties and functions, this compound is poised to make meaningful contributions to both academic and industrial fields.

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