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

  • CAS No. 6798-05-6

  • Cat. No. CS-0122552
  • Molecule weight161.20
  • Purity≥98%
  • MDL No.MFCD13179353

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

2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-one|CS-0122552

Structure of 6798-05-6

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General Information

  • CAS No. 6798-05-6
  • Cat. No. CS-0122552
  • Purity ≥98%
  • MDL No. MFCD13179353
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO
  • Molecular Weight 161.20
  • Synonym(s) 2-Methyl-1,4-dihydroisoquinolin-3(2H)-one
  • SMILES O=C1N(C)CC2=C(C=CC=C2)C1

Synthesis

  • Route1
    • null|null
      80639-30-1
    • ~62%
    • 2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-one|CS-0122552
      6798-05-6

    References

    • Goehring, R. Richard; Sachdeva, Yesh P.; Pisipati, Jyothi S.; Sleevi, Mark C.; Wolfe, James F. Journal of the American Chemical Society, 1985 , vol. 107, # 2 p. 435 - 443
  • Route2

    References

    • Ulysse, Luckner G.; Yang, Qiang; McLaws, Mark D.; Keefe, Daniel K.; Guzzo, Peter R.; Haney, Brian P. Organic Process Research and Development, 2010 , vol. 14, # 1 p. 225 - 228
  • Route3
    • null|null
      847550-42-9
    • ~73%
    • 2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-one|CS-0122552
      6798-05-6

    References

    • McAllister, Laura A.; McCormick, Rosemary A.; James, Karen M.; Brand, Stephen; Willetts, Nigel; Procter, David J. Chemistry - A European Journal, 2007 , vol. 13, # 4 p. 1032 - 1046

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   1.2011
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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