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CS-W001157 4
Total: USD 88.00

6-Methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

  • CAS No. 4692-99-3

  • Cat. No. CS-0061349
  • Molecule weight177.16
  • Purity≥95%
  • MDL No.MFCD06809783

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

6-Methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione|CS-0061349

Structure of 4692-99-3

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General Information

  • CAS No. 4692-99-3
  • Cat. No. CS-0061349
  • Purity ≥95%
  • MDL No. MFCD06809783
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) 6-methyl-2H-3,1-benzoxazine-2,4(1H)-dione
  • SMILES O=C(O1)NC2=CC=C(C)C=C2C1=O

Synthesis

  • Route1
    • null|null
      75-44-5
    • In-stock
      2-Amino-5-methylbenzoic Acid|CS-W002036
      2941-78-8
    • ~83%
    • In-stock
      6-Methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione|CS-0061349
      4692-99-3

    References

    • Tedesco, Rosanna; Shaw, Antony N.; Bambal, Ramesh; Chai, Deping; Concha, Nestor O.; Darcy, Michael G.; Dhanak, Dashyant; Fitch, Duke M.; Gates, Adam; Gerhardt, Warren G.; Halegoua, Dina L.; Han, Chao; Hofmann, Glenn A.; Johnston, Victor K.; Kaura, Arun C.; Liu, Nannan; Keenan, Richard M.; Lin-Goerke, Juili; Sarisky, Robert T.; Wiggall, Kenneth J.; Zimmerman, Michael N.; Duffy, Kevin J. Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 971 - 983
  • Route2
    • In-stock
      2-Amino-5-methylbenzoic Acid|CS-W002036
      2941-78-8
    • null|null
      503-38-8
    • ~94%
    • In-stock
      6-Methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione|CS-0061349
      4692-99-3

    References

    • AVANIR PHARMACEUTICALS Patent: WO2004/74218 A2, 2004 ; Location in patent: Page 97 ;
  • Route3

    References

    • Nelson, Amber C.; Kalinowski, Emily S.; Czerniecki, Nikolas J.; Jacobson, Taylor L.; Grundt, Peter Organic and Biomolecular Chemistry, 2013 , vol. 11, # 43 p. 7455 - 7457

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.07
  • LogP   0.78972
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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