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3,3-Dimethyl-6-nitro-2,3-dihydro-1H-indole

  • CAS No. 179898-72-7

  • Cat. No. CS-0028058
  • Molecule weight192.21
  • Purity≥98%
  • MDL No.MFCD07636644

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

3,3-Dimethyl-6-nitro-2,3-dihydro-1H-indole|CS-0028058

Structure of 179898-72-7

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General Information

  • CAS No. 179898-72-7
  • Cat. No. CS-0028058
  • Purity ≥98%
  • MDL No. MFCD07636644
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₂
  • Molecular Weight 192.21
  • Synonym(s) 3,3-Dimethyl-6-nitroindoline
  • SMILES O=[N+](C1=CC2=C(C=C1)C(C)(C)CN2)[O-]

Synthesis

  • Route1

    References

    • Chen, Guoqing; Adams, Jeffrey; Bemis, Jean; Pietro, Lucian Di; Dominguez, Celia; Elbaum, Daniel; Germain, Julie; Huang, Qi; Kim, Joseph L.; Ouyang, Xiaohu; Patel, Vinod F.; Smith, Leon M.; Tasker, Andrew; Xi, Ning; Xu, Shimin; Yuan, Chester Chenguang; Croghan, Michael; Kim, Tae-Seong Patent: US2003/195230 A1, 2003 ;
  • Route2

    References

    • Kelly, Michael G.; Kincaid, John; Kaub, Carl J. Patent: US2006/258689 A1, 2006 ; Location in patent: Page/Page column 35; 36 ;
  • Route3

    References

    • Edwards, James P.; West, Sarah J.; Pooley, Charlotte L. F.; Marschke, Keith B.; Farmer, Luc J.; Jones, Todd K. Bioorganic and Medicinal Chemistry Letters, 1998 , vol. 8, # 7 p. 745 - 750

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.17
  • LogP   2.2979
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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