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CS-W001157 4
Total: USD 88.00

5-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

  • CAS No. 31366-49-1

  • Cat. No. CS-0057879
  • Purity≥98%
  • MDL No.None

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

5-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one|CS-0057879

Structure of 31366-49-1

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General Information

  • CAS No. 31366-49-1
  • Cat. No. CS-0057879
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 5-Methyl-4H-benzo[1,4]oxazin-3-one
  • SMILES O=C1COC2=CC=CC(C)=C2N1

Synthesis

  • Route1
    • In-stock
      2-Amino-3-methylphenol|CS-W001164
      2835-97-4
    • null|null
      79-04-9
    • ~64%
    • In-stock
      5-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one|CS-0057879
      31366-49-1

    References

    • Allergan Sales, Inc. Patent: US2002/156076 A1, 2002 ;
  • Route2
    • null|null
      888731-57-5
    • ~%
    • In-stock
      5-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one|CS-0057879
      31366-49-1

    References

    • Japan Tobacco Inc. Patent: US2008/64871 A1, 2008 ; Location in patent: Page/Page column 47 ;
  • Route3
    • null|null
      1154696-12-4
    • ~%
    • In-stock
      5-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one|CS-0057879
      31366-49-1

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: US2010/94000 A1, 2010 ; Location in patent: Page/Page column 20 ; US 20100094000 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 : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   1.32592
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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