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CS-W001157 4
Total: USD 88.00

LXRβ ligand 1

  • CAS No. 171049-41-5

  • Cat. No. CS-W019646
  • Purity≥95%
  • MDL No.MFCD04973401

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

LXRβ ligand 1|CS-W019646

Structure of 171049-41-5

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General Information

  • CAS No. 171049-41-5
  • Cat. No. CS-W019646
  • Purity ≥95%
  • MDL No. MFCD04973401
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀N₂O₂
  • Molecular Weight 248.32
  • Synonym(s) None
  • SMILES O=C(N1CC2=CC(N)=CC=C2CC1)OC(C)(C)C

Description

7-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline features a protected amine at the 2-position and a free primary amine at the 7-position, enabling selective functionalization. This scaffold integrates readily into complex alkaloid syntheses and serves as a key intermediate in medicinal chemistry campaigns targeting CNS-active compounds.

Application

7-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline serves as a versatile building block for the synthesis of isoquinoline-based pharmaceuticals and natural product analogs. The tert-butoxycarbonyl group provides stable protection of the primary amine, enabling orthogonal functionalization and facilitating purification. The scaffold exhibits excellent compatibility with standard coupling reactions, hydrogenation protocols, and electrophilic substitutions, making it ideal for iterative synthesis in medicinal chemistry and process development workflows.

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

Quality Control

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Computational Chemistry Data

  • TPSA   55.56
  • LogP   2.562
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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