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tert-Butyl 3-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

  • CAS No. 104668-15-7

  • Cat. No. CS-0216170
  • Purity≥96%
  • MDL No.None

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

tert-Butyl 3-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate|CS-0216170

Structure of 104668-15-7

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General Information

  • CAS No. 104668-15-7
  • Cat. No. CS-0216170
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉NO₃
  • Molecular Weight 261.32
  • Synonym(s) tert-Butyl 3-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
  • SMILES CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C=O

Synthesis

  • Route1
    • null|null
      151838-63-0
    • ~76%
    • tert-Butyl 3-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate|CS-0216170
      104668-15-7

    References

    • Briner, Karin; Doecke, Christopher William; Mancuso, Vincent; Martinelli, Michael John; Richardson, Timothy Ivo; Rothhaar, Roger Ryan; Shi, Qing; Xie, Chaoyu Patent: US2004/82590 A1, 2004 ; Location in patent: Page/Page column 58 ; US 20040082590 A1
  • Route2

    References

    • Wright, Dennis L.; McMills, Mark C. Organic Letters, 1999 , vol. 1, # 4 p. 667 - 670
  • Route3

    References

    • McMills, Mark C.; Wright, Dennis L.; Zubkowski, Jeffrey D.; Valente, Edward J. Tetrahedron Letters, 1996 , vol. 37, # 40 p. 7205 - 7208

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   2.5473
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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