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tert-Butyl 7-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 253801-24-0

  • Cat. No. CS-0084049
  • Purity≥95%
  • MDL No.None

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

tert-Butyl 7-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0084049

Structure of 253801-24-0

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General Information

  • CAS No. 253801-24-0
  • Cat. No. CS-0084049
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉NO₃
  • Molecular Weight 261.32
  • Synonym(s) 7-formyl-3,4-dihydroisoquinolin-2(1H)-carboxylic acid t-butyl ester
  • SMILES O=C(N1CC2=C(C=CC(C=O)=C2)CC1)OC(C)(C)C

Description

tert-Butyl 7-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate features a formyl group at the C7 position of a dihydroisoquinoline scaffold, enabling direct functionalization in synthetic routes. The tert-butyl ester facilitates purification and stability, while the electron-deficient aromatic system supports electrophilic transformations. This compound serves as a key intermediate for isoquinoline-based pharmaceuticals and bioactive molecules.

Application

tert-Butyl 7-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate serves as a versatile building block for the synthesis of isoquinoline-based scaffolds, enabling efficient access to functionalized heterocycles via formyl group transformations. Its bench-stable nature and compatibility with standard coupling and reduction protocols facilitate streamlined synthesis of complex intermediates for medicinal chemistry applications.

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

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   2.7923
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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