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CS-W001157 4
Total: USD 88.00

6-Nitro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

  • CAS No. 174648-98-7

  • Cat. No. CS-W000402
  • Purity≥97%
  • MDL No.MFCD08059288

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

6-Nitro-1,2,3,4-tetrahydro-isoquinoline hydrochloride|CS-W000402

Structure of 174648-98-7

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General Information

  • CAS No. 174648-98-7
  • Cat. No. CS-W000402
  • Purity ≥97%
  • MDL No. MFCD08059288
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClN₂O₂
  • Molecular Weight 214.65
  • Synonym(s) 6-nitro-3,4-dihydro-1H-2l2-isoquinolinehydrochloride
  • SMILES O=[N+]([O-])C(C=C1)=CC2=C1CNCC2.Cl

Description

6-Nitro-1,2,3,4-tetrahydro-isoquinoline hydrochloride features a bench-stable, electron-deficient heterocyclic core with a para-nitro group enhancing reactivity in C–H functionalization. This salt form improves solubility and handling in synthetic workflows, enabling efficient incorporation into pharmaceutical intermediates and complex alkaloid scaffolds under standard conditions.

Application

6-Nitro-1,2,3,4-tetrahydro-isoquinoline hydrochloride serves as a versatile intermediate in the synthesis of isoquinoline-based scaffolds. Its nitro group enables subsequent reduction to amine functionalities, while the protonated heterocyclic core offers enhanced solubility and stability in aqueous/organic media. This compound facilitates efficient functionalization in medicinal chemistry campaigns, particularly for building complex alkaloid-like architectures with predictable reactivity profiles.

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   55.17
  • LogP   1.6623
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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