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CS-W001157 4
Total: USD 88.00

Isochroman-1,4-dione

  • CAS No. 5693-27-6

  • Cat. No. CS-0160227
  • Molecule weight162.14
  • Purity≥95%
  • MDL No.MFCD18807182

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

Isochroman-1,4-dione|CS-0160227

Structure of 5693-27-6

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General Information

  • CAS No. 5693-27-6
  • Cat. No. CS-0160227
  • Purity ≥95%
  • MDL No. MFCD18807182
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₃
  • Molecular Weight 162.14
  • Synonym(s) None
  • SMILES O=C1OCC(C2=C1C=CC=C2)=O

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED; DWYER, Andrew Neil; GORDON, Andrew; URQUHART, Michael Patent: WO2012/80243 A2, 2012 ; Location in patent: Page/Page column 15-16 ;
  • Route2
    • 2-(2-Bromoacetyl)benzoic acid lactol form|CS-0852896
      7399-67-9
    • ~95%
    • Isochroman-1,4-dione|CS-0160227
      5693-27-6

    References

    • Barcia, Jose C; Cruces, Jacobo; Estevez, Juan C; Estevez, Ramon J; Castedo, Luis Tetrahedron Letters, 2002 , vol. 43, # 29 p. 5141 - 5144
  • Route3
    • null|null
      18435-67-1
    • ~99%
    • Isochroman-1,4-dione|CS-0160227
      5693-27-6

    References

    • Kirkovskii, L. I.; Chapishev, S. V. Doklady Chemistry, 1986 , vol. 291, p. 477 - 480 Dokl. Akad. Nauk SSSR Ser. Khim., 1986 , vol. 291, # 4 p. 874 - 877

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   43.37
  • LogP   1.0397
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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