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cis-Hexahydroisobenzofuran-1,3-dione Perospirone Impurity

  • CAS No. 13149-00-3

  • Cat. No. CS-0229219
  • Purity≥98%
  • MDL No.MFCD00005926

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

cis-Hexahydroisobenzofuran-1,3-dione Perospirone  Impurity|CS-0229219

Structure of 13149-00-3

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General Information

  • CAS No. 13149-00-3
  • Cat. No. CS-0229219
  • Purity ≥98%
  • MDL No. MFCD00005926
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₃
  • Molecular Weight 154.16
  • Synonym(s) cis-Hexahydrophthalic anhydride
  • SMILES O=C1OC([C@@]2([H])CCCC[C@]21[H])=O

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 62, p. 2891,2894
  • Route2

    References

    • Villemin; Labiad; Loupy Synthetic Communications, 1993 , vol. 23, # 4 p. 419 - 424
  • Route3
    • rel-1,2-Cyclohexanedicarboxylic acid|CS-0653459
      2305-32-0
    • ~%
    • cis-Hexahydroisobenzofuran-1,3-dione Perospirone  Impurity|CS-0229219
      13149-00-3

    References

    • Angewandte Chemie, , vol. 96, # 1 p. 55 - 56

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   43.37
  • LogP   0.8762
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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