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CS-W001157 4
Total: USD 88.00

3,4-Dihydroisoquinolin-1(2H)-one

  • CAS No. 1196-38-9

  • Cat. No. CS-W008863
  • Purity≥97%
  • MDL No.MFCD00853963

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

3,4-Dihydroisoquinolin-1(2H)-one|CS-W008863

Structure of 1196-38-9

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General Information

  • CAS No. 1196-38-9
  • Cat. No. CS-W008863
  • Purity ≥97%
  • MDL No. MFCD00853963
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO
  • Molecular Weight None
  • Synonym(s) CHEMPACIFIC 43808
  • SMILES O=C1NCCC2=C1C=CC=C2

Description

3,4-Dihydroisoquinolin-1(2H)-one features a saturated heterocyclic core with a lactam functionality, offering enhanced stability and solubility in polar solvents. This scaffold integrates readily into bioactive molecule design, serving as a key building block for pharmaceutical intermediates and ligands in medicinal chemistry.

Application

3,4-Dihydroisoquinolin-1(2H)-one serves as a versatile scaffold in medicinal chemistry, enabling efficient access to bioactive isoquinoline derivatives. Its amide functionality offers enhanced metabolic stability and hydrogen-bonding capacity, while the partially saturated core facilitates selective functionalization at C3 and C4 positions. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, making it a practical building block for targeted synthesis of heterocyclic APIs and lead optimization campaigns.

Synthesis

  • Route1
    • null|null
      85028-25-7
    • ~0%
    • In-stock
      3,4-Dihydroquinolin-2(1H)-one|CS-W002108
      553-03-7
    • In-stock
      3,4-Dihydroisoquinolin-1(2H)-one|CS-W008863
      1196-38-9

    References

    • Torisawa, Yasuhiro; Nishi, Takao; Minamikawa, Jun-Ichi Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 10 p. 2205 - 2209
  • Route2

    References

    • Peukert, Stefan; Schwahn, Uwe; Guessregen, Stefan; Schreuder, Herman; Hofmeister, Armin Synthesis, 2005 , # 9 art. no. C05404SS, p. 1550 - 1554
  • Route3
    • null|null
      64-04-0
    • ~%
    • In-stock
      3,4-Dihydroisoquinolin-1(2H)-one|CS-W008863
      1196-38-9

    References

    • Journal of Medicinal Chemistry, , vol. 37, # 16 p. 2552 - 2563

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   0.9725
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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