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CS-W001157 4
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(1S,3aR,6aS)-2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid

  • CAS No. 597569-42-1

  • Cat. No. CS-0106471
  • Molecule weight255.31
  • Purity95+%
  • MDL No.MFCD10688343

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

(1S,3aR,6aS)-2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid|CS-0106471

Structure of 597569-42-1

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General Information

  • CAS No. 597569-42-1
  • Cat. No. CS-0106471
  • Purity 95+%
  • MDL No. MFCD10688343
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₁NO₄
  • Molecular Weight 255.31
  • Synonym(s) HEXAHYDRO-CYCLOPENTA[C]PYRROLE-1,2-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER
  • SMILES O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@@]2([H])[C@]1([H])CCC2)O

Synthesis

  • Route1
    • null|null
      1053232-60-2
    • ~72%
    • In-stock
      (1S,3aR,6aS)-2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid|CS-0106471
      597569-42-1

    References

    • ACHILLION PHARMACEUTICALS, INC. Patent: US2010/292219 A1, 2010 ; Location in patent: Page/Page column 17 ;
  • Route2
    • Di-tert-butyl (1S,3aR,6aS)-hexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate|CS-0590813
      402960-06-9
    • ~58%
    • In-stock
      (1S,3aR,6aS)-2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid|CS-0106471
      597569-42-1

    References

    • DIPHARMA FRANCIS S.R.L.; TADDEI, Murizio; ATTOLINO, Emanuele; BALDUCCI, Evita; MICHIELETTI, Mario Patent: WO2013/120871 A1, 2013 ; Location in patent: Page/Page column 20 ;
  • Route3
    • null|null
      1451052-99-5
    • ~%
    • In-stock
      (1S,3aR,6aS)-2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid|CS-0106471
      597569-42-1

    References

    • WO2013/120871 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.84
  • LogP   2.1066
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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