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CS-W001157 4
Total: USD 88.00

9b-(4-Chlorophenyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one

  • CAS No. 6038-49-9

  • Cat. No. CS-0039008
  • Purity≥98%
  • MDL No.None

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

9b-(4-Chlorophenyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one|CS-0039008

Structure of 6038-49-9

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General Information

  • CAS No. 6038-49-9
  • Cat. No. CS-0039008
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃ClN₂O
  • Molecular Weight 284.74
  • Synonym(s) 5-Oxo-9b-(p-chlor-phenyl)-1,2,3,9b-tetrahydro-5H-imidazoisoindol
  • SMILES C1=CC=C2C(=C1)C(=O)N3CCNC23C4=CC=C(C=C4)Cl

Synthesis

  • Route1
    • null|null
      107-15-3
    • In-stock
      2-(4-Chlorobenzoyl)benzoic acid|CS-W009453
      85-56-3
    • ~52%
    • In-stock
      9b-(4-Chlorophenyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one|CS-0039008
      6038-49-9

    References

    • Gentry, Patrick R.; Kokubo, Masaya; Bridges, Thomas M.; Kett, Nathan R.; Harp, Joel M.; Cho, Hyekyung P.; Smith, Emery; Chase, Peter; Hodder, Peter S.; Niswender, Colleen M.; Daniels, J. Scott; Conn, P. Jeffrey; Wood, Michael R.; Lindsley, Craig W. Journal of Medicinal Chemistry, 2013 , vol. 56, # 22 p. 9351 - 9355

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   2.6001
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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