Cas no 115724-61-3 (1-(Pyridin-2-ylamino)propan-2-ol)

1-(Pyridin-2-ylamino)propan-2-ol is a versatile organic compound featuring both pyridine and amino alcohol functional groups, making it a valuable intermediate in synthetic chemistry. Its structure enables applications in coordination chemistry, where it can act as a bidentate ligand due to the nitrogen and hydroxyl donor sites. The compound is particularly useful in the development of pharmaceuticals and agrochemicals, where its reactivity allows for further functionalization. Its stability under standard conditions and compatibility with a range of solvents enhance its utility in laboratory and industrial settings. The presence of the pyridine moiety also contributes to its potential use in catalysis and material science.
1-(Pyridin-2-ylamino)propan-2-ol structure
115724-61-3 structure
Product Name:1-(Pyridin-2-ylamino)propan-2-ol
CAS No:115724-61-3
MF:C8H12N2O
MW:152.193681716919
CID:1029106
PubChem ID:3101508
Update Time:2025-06-14

1-(Pyridin-2-ylamino)propan-2-ol Chemical and Physical Properties

Names and Identifiers

    • 1-(Pyridin-2-ylamino)propan-2-ol
    • 115724-61-3
    • AKOS008926979
    • SCHEMBL5845328
    • DTXSID90389235
    • 2-Propanol, 1-(2-pyridinylamino)-
    • Oprea1_724786
    • SB54064
    • DB-013739
    • Inchi: 1S/C8H12N2O/c1-7(11)6-10-8-4-2-3-5-9-8/h2-5,7,11H,6H2,1H3,(H,9,10)
    • InChI Key: VJRVWEKZGGTVCI-UHFFFAOYSA-N
    • SMILES: OC(C)CNC1C=CC=CN=1

Computed Properties

  • Exact Mass: 152.09506
  • Monoisotopic Mass: 152.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 108
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 45.2?2

Experimental Properties

  • PSA: 45.15

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Additional information on 1-(Pyridin-2-ylamino)propan-2-ol

Comprehensive Guide to 1-(Pyridin-2-ylamino)propan-2-ol (CAS No. 115724-61-3): Properties, Applications, and Industry Insights

1-(Pyridin-2-ylamino)propan-2-ol (CAS No. 115724-61-3) is a specialized organic compound gaining traction in pharmaceutical and agrochemical research due to its unique molecular structure. This pyridine derivative features a secondary amine linked to a propanol group, making it a versatile intermediate for synthesizing bioactive molecules. With growing interest in heterocyclic compounds and small molecule drug discovery, this chemical has emerged as a subject of numerous structure-activity relationship (SAR) studies.

The compound's dual functional groups (hydroxyl and amino moieties) enable diverse chemical modifications, addressing current demands for targeted molecular design in medicinal chemistry. Recent patent analyses reveal its application in developing kinase inhibitors, particularly for inflammatory conditions – a hot topic in personalized medicine research. Laboratories frequently search for "CAS 115724-61-3 solubility" or "1-(Pyridin-2-ylamino)propan-2-ol synthesis protocol," reflecting its practical relevance.

From a green chemistry perspective, researchers are investigating catalytic methods to produce this compound with reduced environmental impact. This aligns with the pharmaceutical industry's shift toward sustainable synthetic routes – a major focus at recent ACS conferences. The compound's logP value (predicted ~0.9) suggests favorable drug-like properties, explaining its popularity in lead optimization workflows.

Analytical characterization of 115724-61-3 typically involves HPLC purity testing and NMR spectral interpretation, with common search queries including "1-(Pyridin-2-ylamino)propan-2-ol NMR peaks." The compound's crystalline form has been studied using XRPD, important for pharmaceutical formulation development. Its thermal stability (decomposition >200°C) makes it suitable for various high-temperature reactions.

In material science applications, the pyridine-nitrogen center enables metal coordination, sparking interest in catalyst design and ligand development. This multifunctionality responds to the growing demand for modular chemical building blocks in high-throughput screening platforms. Safety data shows the compound requires standard laboratory precautions, with SDS documents frequently searched alongside "1-(Pyridin-2-ylamino)propan-2-ol handling."

The global market for such fine chemicals is expanding, driven by contract research organizations and generic drug development. Suppliers often list this compound under building blocks for medicinal chemistry categories, with purity specifications (typically ≥95%) being a key purchasing consideration. Regulatory databases confirm its status as a non-controlled substance in major markets.

Emerging research explores the compound's potential in bioconjugation chemistry, particularly for developing antibody-drug conjugates (ADCs) – a trending area in oncological therapeutics. Its balanced hydrophilicity makes it attractive for improving drug solubility, addressing a common challenge in formulation science.

For synthetic chemists, optimization of 115724-61-3 yield often involves microwave-assisted synthesis or flow chemistry techniques. These process intensification methods respond to industry needs for cost-effective scaling, as evidenced by numerous Organic Process Research & Development publications.

The compound's structure-property relationships continue to be modeled using computational chemistry tools, with particular focus on its hydrogen bonding capacity. This computational approach supports the growing AI-driven drug discovery trend, where such molecular fragments serve as valuable inputs for de novo design algorithms.

Quality control protocols for 1-(Pyridin-2-ylamino)propan-2-ol emphasize residual solvent analysis and heavy metal testing, especially for GMP applications. These procedures align with tightening ICH guidelines for pharmaceutical intermediates, a regulatory aspect frequently searched by quality assurance professionals.

In academic settings, this compound serves as an excellent case study for teaching retrosynthetic analysis and protective group strategies. Its straightforward spectroscopic fingerprint makes it ideal for analytical chemistry training, explaining its inclusion in advanced laboratory coursework syllabi.

Future research directions may explore its chiral derivatives for asymmetric synthesis applications, or its incorporation into covalent inhibitor scaffolds. These potential developments position CAS 115724-61-3 as a compound with sustained relevance in cutting-edge chemical research.

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