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2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile

  • CAS No. 52244-06-1

  • Cat. No. CS-0322991
  • Purity≥97%
  • MDL No.None

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

2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile|CS-0322991

Structure of 52244-06-1

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General Information

  • CAS No. 52244-06-1
  • Cat. No. CS-0322991
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂O₂
  • Molecular Weight 232.28
  • Synonym(s) 6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-1-ISOQUINOLINE ACETONITRILE
  • SMILES COC1=C(C=C2C(=C1)CCNC2CC#N)OC

Synthesis

  • Route1
    • null|null
      43052-77-3
    • ~67%
    • 2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile|CS-0322991
      52244-06-1

    References

    • Bata, Imre; Heja, Gergely; Kiss, Pal; Korbonits, Dezso Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1986 , p. 9 - 12
  • Route2

    References

    • Pelletier, Jeffrey C.; Cava, Michael P. Synthesis, 1987 , # 5 p. 474 - 477

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H410
Precautionary Statements : P264-P270-P273-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.28
  • LogP   1.80428
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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