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CS-W001157 4
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5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

  • CAS No. 104737-00-0

  • Cat. No. CS-0041256
  • Purity≥97%
  • MDL No.MFCD09955235

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

5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline|CS-0041256

Structure of 104737-00-0

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General Information

  • CAS No. 104737-00-0
  • Cat. No. CS-0041256
  • Purity ≥97%
  • MDL No. MFCD09955235
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrN₂O₂
  • Molecular Weight 271.11
  • Synonym(s) 5-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
  • SMILES O=[N+](C1=CC=C(Br)C2=C1CN(C)CC2)[O-]

Synthesis

  • Route1
    • null|null
      947499-02-7
    • ~81%
    • 5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline|CS-0041256
      104737-00-0

    References

    • MEMORY PHARMACEUTICALS CORPORATION Patent: US2008/200471 A1, 2008 ; Location in patent: Page/Page column 45; 46 ; US 20080200471 A1
  • Route2

    References

    • PAINCEPTOR PHARMA CORPORATION Patent: WO2008/144931 A1, 2008 ; Location in patent: Page/Page column 86 ; WO 2008/144931 A1
  • Route3
    • null|null
      52279-18-2
    • ~93%
    • 5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline|CS-0041256
      104737-00-0

    References

    • Rey, Max; Vergnani, Tiziana; Dreiding, Andre S. Helvetica Chimica Acta, 1985 , vol. 68, p. 1828 - 1834

Safety Information

Download SDS
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   46.38
  • LogP   2.3452
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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