Cas no 83220-72-8 (3-Pyrrolidinol)

3-Pyrrolidinol is a versatile heterocyclic compound featuring a pyrrolidine ring with a hydroxyl group at the 3-position. This secondary amine-alcohol hybrid exhibits unique reactivity due to its bifunctional nature, making it valuable in pharmaceutical and agrochemical synthesis. Its polar structure enhances solubility in both aqueous and organic media, facilitating its use as a building block in complex molecule assembly. The compound serves as a key intermediate in the preparation of chiral ligands, catalysts, and bioactive molecules. Its stability under standard conditions and compatibility with a range of chemical transformations underscore its utility in medicinal chemistry and material science applications.
3-Pyrrolidinol structure
3-Pyrrolidinol structure
Product Name:3-Pyrrolidinol
CAS No:83220-72-8
MF:C18H28N2O2
MW:304.427124977112
CID:708757
PubChem ID:119544
Update Time:2025-07-23

3-Pyrrolidinol Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrrolidinol
    • (3R)-Pyrrolidin-3-ol
    • 3-pyrrolidinol .
    • Pyrrolidin-3-o
    • DL-3-Pyrrolidinol
    • (3as,3bs,5ar,7r,9as,9bs,11as)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9a,9b,11,11a-tetradecahydro-10h-naphtho[2,1-e]indol-10-one
    • (3aS,3bS,5aR,7R,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
    • R 5135
    • RU-5135
    • 10H-Naphth(2,1-e)indol-10-one, 2-amino-3,3a,3b,4,5,5a,6,7,8,9,9a,9b,11,11a-tetradecahydro-7-hydroxy-9a,11a-dimethyl-, (3aS,3bS,5aR,7R,9aS,9bS,11aS)-
    • RU5135
    • 78774-26-2
    • 3-Hydroxy-16-imino-17-azaandrostan-11-one
    • (3aS,3bS,5aR,7R,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9bH,11H-naphtho[2,1-e]indol-10-one
    • 3a-hydroxy-16-imino-5beta-17-aza-androstan-11-one
    • 17-Azaandrost-16-en-11-one, 16-amino-3-hydroxy-, (3alpha,5beta)-
    • R1OGA081AP
    • SCHEMBL8073909
    • Q27287673
    • DTXSID301000006
    • 3alpha-Hydroxy-16-imino-17-aza-5beta-androstan-11-one
    • 83220-72-8
    • UNII-R1OGA081AP
    • 7-Hydroxy-2-imino-9a,11a-dimethylhexadecahydro-10H-naphtho[2,1-e]indol-10-one
    • AKOS030231473
    • Inchi： 1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)/t10-,11-,12+,13+,16-,17+,18+/m1/s1
    • InChI Key： LLAKESJIQFAQJA-NJYPJRCCSA-N
    • SMILES： O=C1C[C@@]2(C)[C@@H](CC(N)=N2)[C@@H]2CC[C@@H]3C[C@@H](CC[C@]3(C)[C@H]21)O

Computed Properties

  • Exact Mass: 87.068
  • Monoisotopic Mass: 87.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 46.8
  • 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
  • Topological Polar Surface Area: 32.3A^2
  • XLogP3: 1

Experimental Properties

  • Color/Form: Clear liquid
  • Density: 1.076?g/mL?at 20?°C(lit.)
  • Melting Point: 15°C
  • Boiling Point: 108-110?°C8?mm Hg(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.49(lit.)
  • PSA: 32.26000
  • LogP: -0.33060
  • Specific Rotation: 6.5 o (C=3.5% IN MEOH)

3-Pyrrolidinol Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-37
  • FLUKA BRAND F CODES：10-34
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Storage Condition：2-8°C

3-Pyrrolidinol Pricemore >>

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3-Pyrrolidinol Related Literature

Additional information on 3-Pyrrolidinol

Professional Introduction to 3-Pyrrolidinol (CAS No. 83220-72-8)

3-Pyrrolidinol, with the chemical formula C?H?NO, is a significant compound in the field of pharmaceutical chemistry and organic synthesis. This heterocyclic alcohol has garnered considerable attention due to its versatile applications and structural properties. The compound is identified by its unique Chemical Abstracts Service (CAS) number, CAS No. 83220-72-8, which distinguishes it in the vast registry of chemical substances.

The molecular structure of 3-Pyrrolidinol consists of a pyrrolidine ring substituted with a hydroxyl group at the 3-position. This configuration imparts unique reactivity and functionality, making it a valuable intermediate in the synthesis of various pharmacologically active molecules. The presence of both nitrogen and oxygen in its structure allows for diverse interactions with biological targets, which has been leveraged in the development of novel therapeutic agents.

In recent years, 3-Pyrrolidinol has been extensively studied for its potential in drug discovery and development. Its role as a building block in medicinal chemistry has been highlighted in several cutting-edge research articles. For instance, studies have demonstrated its utility in constructing complex molecular frameworks that exhibit inhibitory effects on specific enzymes and receptors. These findings have opened new avenues for the design of drugs targeting neurological disorders, inflammatory conditions, and metabolic diseases.

One notable application of 3-Pyrrolidinol is in the synthesis of kinase inhibitors, which are crucial for treating cancers and other chronic diseases. The pyrrolidine scaffold is particularly favored in this context due to its ability to mimic ATP binding pockets in kinases. Recent advancements in computational chemistry have further optimized the use of 3-Pyrrolidinol derivatives as lead compounds, enhancing their binding affinity and selectivity. Such innovations underscore the importance of this compound in modern drug design strategies.

The pharmacokinetic properties of 3-Pyrrolidinol have also been a subject of intense investigation. Researchers have explored its metabolic pathways and interactions with cytochrome P450 enzymes to improve drug bioavailability and reduce side effects. These studies have provided valuable insights into how structural modifications can modulate the pharmacological profile of pyrrolidine-based compounds.

Moreover, the synthetic methodologies for preparing 3-Pyrrolidinol have seen significant advancements. Modern synthetic routes leverage catalytic processes and green chemistry principles to enhance efficiency and sustainability. For example, transition metal-catalyzed reactions have enabled the concise construction of complex derivatives, reducing the need for hazardous reagents and minimizing waste generation.

The versatility of 3-Pyrrolidinol extends beyond pharmaceutical applications. It has been utilized in materials science for developing functional polymers and coatings that exhibit unique chemical properties. These materials find applications in electronics, where their ability to conduct ions or electrons under specific conditions is highly valued.

In conclusion, 3-Pyrrolidinol (CAS No. 83220-72-8) stands as a pivotal compound in both academic research and industrial applications. Its structural features and reactivity make it indispensable in medicinal chemistry, while its broader utility spans materials science and beyond. As research continues to uncover new possibilities, the significance of this compound is set to grow further, driving innovation across multiple scientific disciplines.

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