Cas no 2227729-30-6 ((2S)-5-ethylheptan-2-ol)

(2S)-5-Ethylheptan-2-ol is a chiral secondary alcohol with a defined stereocenter at the C-2 position, offering utility as an intermediate in asymmetric synthesis and fine chemical applications. Its branched alkyl chain enhances lipophilicity, making it suitable for use in hydrophobic reaction environments or as a precursor for surfactants and specialty solvents. The (S)-configuration ensures enantioselectivity in chiral transformations, which is critical for pharmaceutical and agrochemical synthesis. The compound's stability under standard conditions and moderate reactivity allow for controlled functionalization. Its purity and structural specificity make it valuable for research and industrial processes requiring precise stereochemical control.
(2S)-5-ethylheptan-2-ol structure
(2S)-5-ethylheptan-2-ol structure
Product Name:(2S)-5-ethylheptan-2-ol
CAS No:2227729-30-6
MF:C9H20O
MW:144.254503250122
CID:5959972
PubChem ID:25021623
Update Time:2025-06-11

(2S)-5-ethylheptan-2-ol Chemical and Physical Properties

Names and Identifiers

    • (2S)-5-ethylheptan-2-ol
    • EN300-1803945
    • 2227729-30-6
    • Inchi: 1S/C9H20O/c1-4-9(5-2)7-6-8(3)10/h8-10H,4-7H2,1-3H3/t8-/m0/s1
    • InChI Key: DYNOLYWQCYQCKX-QMMMGPOBSA-N
    • SMILES: O[C@@H](C)CCC(CC)CC

Computed Properties

  • Exact Mass: 144.151415257g/mol
  • Monoisotopic Mass: 144.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 67.1
  • 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: 3.1
  • Topological Polar Surface Area: 20.2?2

(2S)-5-ethylheptan-2-ol Pricemore >>

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Additional information on (2S)-5-ethylheptan-2-ol

Recent Advances in the Study of (2S)-5-ethylheptan-2-ol and Related Compound 2227729-30-6

The compound (2S)-5-ethylheptan-2-ol and its related chemical entity, 2227729-30-6, have recently garnered significant attention in the field of chemical biology and pharmaceutical research. These molecules are of particular interest due to their potential applications in drug development and their unique structural properties. This research brief aims to provide an overview of the latest findings and advancements related to these compounds, highlighting their synthesis, biological activity, and potential therapeutic uses.

Recent studies have focused on the synthesis and characterization of (2S)-5-ethylheptan-2-ol, a chiral secondary alcohol with potential applications as a building block in pharmaceutical chemistry. The compound's stereochemistry is crucial for its biological activity, and researchers have developed efficient enantioselective synthesis routes to produce it in high optical purity. These synthetic methods often involve asymmetric hydrogenation or enzymatic resolution, which have been optimized to achieve high yields and selectivity.

The compound 2227729-30-6, while structurally related, appears to serve different purposes in research. Current literature suggests it may function as an intermediate in the synthesis of more complex molecules or as a ligand in catalytic systems. Its exact role and potential applications are still under investigation, with several research groups exploring its physicochemical properties and reactivity patterns.

Biological evaluations of (2S)-5-ethylheptan-2-ol have revealed interesting pharmacological properties. Preliminary studies indicate potential anti-inflammatory effects, with the compound showing inhibitory activity against certain pro-inflammatory cytokines. These findings suggest possible applications in the treatment of inflammatory diseases, though further in vivo studies are needed to validate these effects and determine the compound's safety profile.

From a structural perspective, both compounds exhibit interesting features that make them valuable for medicinal chemistry research. The presence of the ethyl group at the 5-position in (2S)-5-ethylheptan-2-ol appears to influence its lipophilicity and membrane permeability, factors that are crucial for drug bioavailability. Similarly, the specific structural motifs in 2227729-30-6 may contribute to its potential as a pharmacophore in drug design.

Recent computational studies have employed molecular docking and dynamics simulations to predict the interaction of these compounds with various biological targets. These in silico approaches have provided valuable insights into potential mechanisms of action and have guided the design of more potent analogs. The combination of computational predictions with experimental validation represents a powerful strategy in current drug discovery efforts involving these molecules.

In conclusion, the ongoing research on (2S)-5-ethylheptan-2-ol and 2227729-30-6 demonstrates their growing importance in pharmaceutical and chemical biology research. While significant progress has been made in understanding their synthesis and potential applications, further studies are needed to fully explore their therapeutic potential and to address remaining challenges in their development as drug candidates or pharmaceutical intermediates.

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