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CS-W001157 4
Total: USD 88.00

7-Bromo-2-methyl-1,2,3,4-tetrahydroisoquinoline

  • CAS No. 258515-54-7

  • Cat. No. CS-0131420
  • Purity≥97%
  • MDL No.MFCD15474923

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

7-Bromo-2-methyl-1,2,3,4-tetrahydroisoquinoline|CS-0131420

Structure of 258515-54-7

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General Information

  • CAS No. 258515-54-7
  • Cat. No. CS-0131420
  • Purity ≥97%
  • MDL No. MFCD15474923
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂BrN
  • Molecular Weight 226.11
  • Synonym(s) None
  • SMILES CN1CC2=C(C=CC(Br)=C2)CC1

Description

7-Bromo-2-methyl-1,2,3,4-tetrahydroisoquinoline features a brominated heterocyclic core with a methyl substituent at the 2-position, enabling direct functionalization in late-stage diversification. This electron-deficient scaffold integrates readily into pharmaceutical intermediates and bioactive molecule libraries through transition-metal-catalyzed coupling reactions.

Application

7-Bromo-2-methyl-1,2,3,4-tetrahydroisoquinoline serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C7 position via palladium-catalyzed cross-coupling reactions. Its bromine substituent offers high reactivity and compatibility with standard coupling protocols, while the 2-methyl group enhances metabolic stability and modulates electronic properties. The tetrahydroisoquinoline core provides structural rigidity and is commonly found in bioactive molecules, making this compound particularly valuable for scaffold diversification and lead optimization in CNS-targeted drug discovery.

Safety Information

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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   3.24
  • LogP   2.437
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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