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CS-W001157 4
Total: USD 88.00

Isoquinolin-3-ylmethanol

  • CAS No. 76884-34-9

  • Cat. No. CS-0019309
  • Purity≥96%
  • MDL No.MFCD01859798

*For research and further manufacturing use only, not for direct human use.

Isoquinolin-3-ylmethanol|CS-0019309

Structure of 76884-34-9

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General Information

  • CAS No. 76884-34-9
  • Cat. No. CS-0019309
  • Purity ≥96%
  • MDL No. MFCD01859798
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO
  • Molecular Weight None
  • Synonym(s) Isoquinolin-3-ylmethanol; 3-Isoquinolinylmethanol
  • SMILES OCC1=CC2=C(C=N1)C=CC=C2

Description

Isoquinolin-3-ylmethanol serves as a key scaffold in medicinal chemistry, featuring a rigid heteroaromatic core with a reactive benzylic alcohol. This moiety integrates readily into bioactive molecules due to its favorable electronic profile and compatibility with diverse functionalizations. The hydroxymethyl group enables straightforward derivatization, while the isoquinoline framework contributes π-stacking potential and metabolic stability.

Application

Isoquinolin-3-ylmethanol serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the benzylic position. Its bench-stable nature and compatibility with standard oxidation, substitution, and coupling reactions facilitate efficient access to diverse isoquinoline derivatives. The molecule functions effectively in late-stage modifications and scaffold elaboration for pharmaceutical discovery.

Synthesis

  • Route1

    References

    • Guanti, Giuseppe; Riva, Renata Tetrahedron Asymmetry, 2001 , vol. 12, # 8 p. 1185 - 1200
  • Route2
    • 2-(1,3-Dioxolan-2-yl)benzaldehyde|CS-1671585
      59259-01-7
    • ~%
    • In-stock
      Isoquinolin-3-ylmethanol|CS-0019309
      76884-34-9

    References

    • Tetrahedron Asymmetry, , vol. 12, # 8 p. 1185 - 1200
  • Route3
    • null|null
      1125-80-0
    • ~%
    • In-stock
      Isoquinolin-3-ylmethanol|CS-0019309
      76884-34-9

    References

    • Helvetica Chimica Acta, , vol. 31, p. 1978,1987

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   33.12
  • LogP   1.7271
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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