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CS-W001157 4
Total: USD 88.00

4-Methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid

  • CAS No. 861338-27-4

  • Cat. No. CS-0234971
  • Molecule weight207.18
  • Purity95+%
  • MDL No.None

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

4-Methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid|CS-0234971

Structure of 861338-27-4

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General Information

  • CAS No. 861338-27-4
  • Cat. No. CS-0234971
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₄
  • Molecular Weight 207.18
  • Synonym(s) 4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylic acid
  • SMILES CN1C2=CC(=CC=C2OCC1=O)C(=O)O

Synthesis

  • Route1
    • Methyl 4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate|CS-0314508
      861348-36-9
    • ~%
    • 4-Methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid|CS-0234971
      861338-27-4

    References

    • WO2008/75196 A1, ; Page/Page column 107-108 ;
  • Route2
    • null|null
      77-78-1
    • ~%
    • 4-Methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid|CS-0234971
      861338-27-4
    • Methyl 4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate|CS-0314508
      861348-36-9

    References

    • Journal of the American Chemical Society, , vol. 48, p. 464

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   66.84
  • LogP   0.74
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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