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tert-Butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

  • CAS No. 186202-73-3

  • Cat. No. CS-0171741
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate|CS-0171741

Structure of 186202-73-3

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General Information

  • CAS No. 186202-73-3
  • Cat. No. CS-0171741
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₆N₂O₂
  • Molecular Weight 302.41
  • Synonym(s) tert-Butyl 5-benzyl-octahydropyrrolo-[3,4-c]pyrrole-2-carboxylate
  • SMILES CC(C)(C)OC(=O)N1CC2CN(CC3=CC=CC=C3)CC2C1

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2005/121145 A2, 2005 ; Location in patent: Page/Page column 150-151 ; WO 2005/121145 A2
  • Route2

    References

    • Basha, Anwer; Bunnelle, William H.; Dart, Michael J.; Gallagher, Megan E.; Ji, Jianguo; Li, Tao; Pace, Jennifer M.; Ryther, Keith B.; Tietje, Karin R. Patent: US2005/65178 A1, 2005 ; Location in patent: Page/Page column 22 ;
  • Route3
    • 5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione|CS-0127611
      848591-86-6
    • ~%
    • tert-Butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate|CS-0171741
      186202-73-3

    References

    • SUNSHINE LAKE PHARMA CO., LTD.; ZHANG, Jiancun; ZHANG, Yingjun; ZHANG, Weihong; LIU, Bing; ZHANG, Jiquan; LIU, Jinlei; ZHANG, Lu Patent: WO2013/71697 A1, 2013 ;

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   32.78
  • LogP   2.9853
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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