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(3AR,6aR)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid ethyl ester

  • CAS No. 948846-39-7

  • Cat. No. CS-0040333
  • Purity≥98%
  • MDL No.MFCD11656773

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

(3AR,6aR)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid ethyl ester|CS-0040333

Structure of 948846-39-7

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General Information

  • CAS No. 948846-39-7
  • Cat. No. CS-0040333
  • Purity ≥98%
  • MDL No. MFCD11656773
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆N₂O₂
  • Molecular Weight 184.24
  • Synonym(s) (3AR,6AR)-5-Ethoxycarbonyl-1H-hexahydropyrrolo[3,4-B]pyrrole
  • SMILES O=C(N1C[C@]2([H])NCC[C@]2([H])C1)OCC

Synthesis

  • Route1
    • Ethyl (3ar,6ar)-1-((r)-1-phenylethyl)hexahydropyrrolo[3,4-b]pyrrole-5(1h)-carboxylate|CS-0664023
      370879-99-5
    • ~%
    • (3AR,6aR)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid ethyl ester|CS-0040333
      948846-39-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 11 p. 2891 - 2894

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

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   0.4366
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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