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Phenylmethyl (3S)-3-(aminomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

  • CAS No. 1187932-04-2

  • Cat. No. CS-0340584
  • Purity≥98%
  • MDL No.None

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

Phenylmethyl (3S)-3-(aminomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate|CS-0340584

Structure of 1187932-04-2

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General Information

  • CAS No. 1187932-04-2
  • Cat. No. CS-0340584
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₀N₂O₂
  • Molecular Weight 296.36
  • Synonym(s) (S)-3-AMINOMETHYL-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
  • SMILES C1=CC=C(C=C1)COC(=O)N2CC3=CC=CC=C3C[C@H]2CN

Synthesis

  • Route1
    • null|null
      1238366-03-4
    • ~%
    • Phenylmethyl (3S)-3-(aminomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate|CS-0340584
      1187932-04-2

    References

    • Peters, Byron K.; Chakka, Sai Kumar; Naicker, Tricia; Maguire, Glenn E.M.; Kruger, Hendrik G.; Andersson, Pher G.; Govender, Thavendran Tetrahedron Asymmetry, 2010 , vol. 21, # 6 p. 679 - 687

Safety Information

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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

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Computational Chemistry Data

  • TPSA   55.56
  • LogP   2.7088
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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