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CS-W001157 4
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1-​[(4S)​-​4,​5-​Dihydro-​4-​isopropyl​-​2-​oxazolyl]​isoquinoline

  • CAS No. 1701405-00-6

  • Cat. No. CS-0087535
  • Molecule weight240.30
  • Purity≥95%
  • MDL No.None

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

1-​[(4S)​-​4,​5-​Dihydro-​4-​isopropyl​-​2-​oxazolyl]​isoquinoline|CS-0087535

Structure of 1701405-00-6

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General Information

  • CAS No. 1701405-00-6
  • Cat. No. CS-0087535
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₆N₂O
  • Molecular Weight 240.30
  • Synonym(s) (S)-4-Isopropyl-2-(isoquinolin-1-yl)-4,5-dihydrooxazole
  • SMILES CC([C@H]1COC(C2=NC=CC3=CC=CC=C23)=N1)C

Description

(S)-iPr-iQuinox features a chiral isopropyl-substituted quinoxaline scaffold with enhanced stereochemical stability. This bench-stable, moisture-tolerant heterocycle integrates readily into asymmetric synthesis workflows, serving as a robust ligand framework in transition-metal catalysis and enabling efficient access to enantioenriched biaryl architectures.

Application

(S)-iPr-iQuinox serves as a chiral building block for the synthesis of quinoline-based scaffolds, enabling stereoselective functionalization in medicinal chemistry applications. Its bench-stable, protected nitrogen functionality offers excellent tolerance to diverse reaction conditions, facilitating efficient coupling and cyclization processes. The isopropyl-substituted quinoxaline core provides enhanced solubility and purification ease, making it well-suited for high-throughput synthetic 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 : H315-H319
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   34.48
  • LogP   3.0362
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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