Cas no 100696-04-6 ((1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol)

(1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol is a chiral cyclohexanol derivative featuring a secondary amine functional group at the 2-position. Its stereospecific (1S,2S) configuration ensures high enantiomeric purity, making it valuable for asymmetric synthesis and pharmaceutical applications. The compound’s rigid cyclohexane backbone and isopropylamine substituent contribute to its utility as a building block for ligands, catalysts, or bioactive molecules. Its hydroxyl and amine groups offer versatile reactivity for further derivatization, enabling use in fine chemical synthesis. The defined stereochemistry also supports studies in stereoselective reactions or as a reference standard. Suitable for research and industrial applications requiring precise chiral intermediates.
(1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol structure
100696-04-6 structure
Product Name:(1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol
CAS No:100696-04-6
MF:C9H19NO
MW:157.253262758255
CID:5043574
Update Time:2025-05-24

(1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol Chemical and Physical Properties

Names and Identifiers

    • (1S,2S)-2-(Isopropylamino)-1-cyclohexanol
    • (1S,2S)-2-(Isopropylamino)cyclohexan-1-ol
    • (1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol
    • Inchi: 1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
    • InChI Key: NXBJSUOOKXVSFX-IUCAKERBSA-N
    • SMILES: O[C@H]1CCCC[C@@H]1NC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 114
  • XLogP3: 1.2
  • Topological Polar Surface Area: 32.299

(1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol Pricemore >>

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Additional information on (1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol

Comprehensive Overview of (1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol (CAS No. 100696-04-6): Properties, Applications, and Industry Insights

The compound (1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol (CAS No. 100696-04-6) is a chiral cyclohexane derivative with significant relevance in pharmaceutical and chemical research. Its stereospecific structure, featuring a propan-2-yl amino group and a hydroxyl group on a cyclohexane backbone, makes it a valuable intermediate in asymmetric synthesis and drug development. The (1S,2S) configuration ensures high enantiomeric purity, a critical factor for applications requiring precise molecular interactions.

In recent years, the demand for chiral compounds like (1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol has surged due to their role in designing targeted therapeutics and catalysts. Researchers frequently search for "chiral building blocks" or "enantioselective synthesis," reflecting the growing interest in stereochemically defined molecules. This compound’s CAS No. 100696-04-6 is often referenced in patents and academic papers, highlighting its utility in medicinal chemistry and process optimization.

The physicochemical properties of (1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol include moderate solubility in polar solvents, stability under ambient conditions, and a defined melting point range, making it suitable for laboratory and industrial-scale applications. Its amino-alcohol functionality allows for versatile derivatization, enabling the creation of ligands for metal-catalyzed reactions or pharmacophores in drug discovery. These attributes align with trending topics like "green chemistry" and "sustainable synthesis," as the compound can reduce waste in multi-step reactions.

From an industrial perspective, CAS No. 100696-04-6 is often discussed in contexts such as "scale-up challenges" and "cost-effective chiral synthesis." Companies optimizing API production (Active Pharmaceutical Ingredients) prioritize such intermediates for their reproducibility and scalability. Additionally, the compound’s role in asymmetric hydrogenation—a hot topic in catalysis—further underscores its importance.

Regulatory and safety profiles of (1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol are well-documented, with no significant hazards under standard handling conditions. This aligns with the increasing focus on "safe chemical handling" and "regulatory compliance" in search queries. Its non-toxic nature and compatibility with GMP standards make it a preferred choice for pharmaceutical manufacturers.

In conclusion, (1S,2S)-2-(Propan-2-yl)aminocyclohexan-1-ol (CAS No. 100696-04-6) exemplifies the intersection of chiral chemistry and industrial applicability. Its versatility, coupled with rising demand for enantiopure compounds, positions it as a critical component in modern synthetic strategies. As research trends evolve toward precision medicine and catalytic efficiency, this compound will likely remain a focal point for innovation.

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