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tert-Butyl 3-(aminomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 690244-91-8

  • Cat. No. CS-0071356
  • Molecule weight262.35
  • Purity≥97%
  • MDL No.MFCD08059298

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

tert-Butyl 3-(aminomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0071356

Structure of 690244-91-8

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General Information

  • CAS No. 690244-91-8
  • Cat. No. CS-0071356
  • Purity ≥97%
  • MDL No. MFCD08059298
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₂N₂O₂
  • Molecular Weight 262.35
  • Synonym(s) 3-AMINOMETHYL-2-BOC-3,4-DIHYDRO-1H-ISOQUINOLINE
  • SMILES O=C(OC(C)(C)C)N1CC(C=CC=C2)=C2CC1CN

Synthesis

  • Route1
    • null|null
      690244-90-7
    • ~83%
    • tert-Butyl 3-(aminomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0071356
      690244-91-8

    References

    • GLAXO GROUP LIMITED Patent: WO2004/41816 A1, 2004 ; Location in patent: Page 15 ; WO 2004/041816 A1

Safety Information

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Computational Chemistry Data

  • TPSA   55.56
  • LogP   2.3071
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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