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CS-W001157 4
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2-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-one

  • CAS No. 1199813-82-5

  • Cat. No. CS-0122556
  • Molecule weight206.20
  • Purity≥98%
  • MDL No.MFCD16875463

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

2-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-one|CS-0122556

Structure of 1199813-82-5

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General Information

  • CAS No. 1199813-82-5
  • Cat. No. CS-0122556
  • Purity ≥98%
  • MDL No. MFCD16875463
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₃
  • Molecular Weight 206.20
  • Synonym(s) 2-methyl-7-nitro-1,4-dihydroisoquinolin-3-one
  • SMILES O=C1N(C)CC2=C(C=CC([N+]([O-])=O)=C2)C1

Synthesis

  • Route1
    • null|null
      50-00-0
    • N-Methyl-2-(4-nitrophenyl)acetamide|CS-0680232
      98245-61-5
    • ~99%
    • 2-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-one|CS-0122556
      1199813-82-5

    References

    • Yang, Qiang; Ulysse, Luckner G.; McLaws, Mark D.; Keefe, Daniel K.; Haney, Brian P.; Zha, Congxiang; Guzzo, Peter R.; Liu, Shuang Organic Process Research and Development, 2012 , vol. 16, # 3 p. 499 - 506
  • Route2
    • 4-Nitrobenzeneacetic acid Indobufen  Impurity|CS-0229459
      104-03-0
    • ~%
    • 2-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-one|CS-0122556
      1199813-82-5

    References

    • Yang, Qiang; Ulysse, Luckner G.; McLaws, Mark D.; Keefe, Daniel K.; Haney, Brian P.; Zha, Congxiang; Guzzo, Peter R.; Liu, Shuang Organic Process Research and Development, 2012 , vol. 16, # 3 p. 499 - 506
  • Route3
    • null|null
      50434-36-1
    • ~%
    • 2-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-one|CS-0122556
      1199813-82-5

    References

    • Yang, Qiang; Ulysse, Luckner G.; McLaws, Mark D.; Keefe, Daniel K.; Haney, Brian P.; Zha, Congxiang; Guzzo, Peter R.; Liu, Shuang Organic Process Research and Development, 2012 , vol. 16, # 3 p. 499 - 506

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   63.45
  • LogP   1.1093
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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