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CS-W001157 4
Total: USD 88.00

Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

  • CAS No. 942145-77-9

  • Cat. No. CS-B0466
  • Purity≥98%
  • MDL No.MFCD11616203

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

Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate|CS-B0466

Structure of 942145-77-9

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General Information

  • CAS No. 942145-77-9
  • Cat. No. CS-B0466
  • Purity ≥98%
  • MDL No. MFCD11616203
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₂N₂O₂
  • Molecular Weight 298.39
  • Synonym(s) None
  • SMILES O=C(OC(C)C)C1=CNCC(C)(C)C2=C1NC3=C2C=CC=C3

Synthesis

  • Route1
    • null|null
      1227748-44-8
    • null|null
      1227748-49-3
    • ~%
    • In-stock
      Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate|CS-B0466
      942145-77-9

    References

    • EXELIXIS, INC. Patent: WO2007/70796 A1, 2007 ; Location in patent: Page/Page column 110; 116; 119 ; WO 2007/070796 A1
  • Route2
    • Isopropyl 3-bromo-2-oxopropanoate|CS-M0667
      56417-63-1
    • 2-(1H-Indol-3-yl)-2-methylpropan-1-amine|CS-0183493
      15467-31-9
    • ~%
    • In-stock
      Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate|CS-B0466
      942145-77-9

    References

    • Flatt, Brenton; Martin, Richard; Wang, Tie-Lin; Mahaney, Paige; Murphy, Brett; Gu, Xiao-Hui; Foster, Paul; Li, Jiali; Pircher, Parinaz; Petrowski, Mary; Schulman, Ira; Westin, Stefan; Wrobel, Jay; Yan, Grace; Bischoff, Eric; Daige, Chris; Mohan, Raju Journal of Medicinal Chemistry, 2009 , vol. 52, # 4 p. 904 - 907

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

Quality Control

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Computational Chemistry Data

  • TPSA   54.12
  • LogP   3.3412
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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