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CS-W001157 4
Total: USD 88.00

6-Hydroxy-4-methyl-2,3-dihydro-1-benzofuran-3-one

  • CAS No. 21861-32-5

  • Cat. No. CS-0073139
  • Purity≥97%
  • MDL No.MFCD08292577

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

6-Hydroxy-4-methyl-2,3-dihydro-1-benzofuran-3-one|CS-0073139

Structure of 21861-32-5

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General Information

  • CAS No. 21861-32-5
  • Cat. No. CS-0073139
  • Purity ≥97%
  • MDL No. MFCD08292577
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) AKOS BBS-00006159
  • SMILES O=C1C(C(OC1)=CC(O)=C2)=C2C

Synthesis

  • Route1

    References

    • WYETH LLC; AYRAL-KALOUSTIAN, Semiramis; MANSOUR, Tarek Suhayl; TSOU, Hwei-Ru; ZHANG, Nan; VENKATESAN, Aranapakam M.; DI, Li; KERNS, Edward H. Patent: WO2010/30727 A1, 2010 ; Location in patent: Page/Page column 93 ; WO 2010/030727 A1
  • Route2
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      22670-61-7
    • ~%
    • 6-Hydroxy-4-methyl-2,3-dihydro-1-benzofuran-3-one|CS-0073139
      21861-32-5

    References

    • Mak, Marianna; Nogradi, Mihaly; Szoellosy, Aron Tetrahedron, 2006 , vol. 62, # 35 p. 8425 - 8429
  • Route3

    References

    • Tetrahedron, , vol. 62, # 35 p. 8425 - 8429

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.27572
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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