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CS-W001157 4
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7-Methoxy-2H-3,1-benzoxazine-2,4(1H)-dione

  • CAS No. 128076-63-1

  • Cat. No. CS-0075247
  • Purity≥98%
  • MDL No.MFCD06658459

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

7-Methoxy-2H-3,1-benzoxazine-2,4(1H)-dione|CS-0075247

Structure of 128076-63-1

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General Information

  • CAS No. 128076-63-1
  • Cat. No. CS-0075247
  • Purity ≥98%
  • MDL No. MFCD06658459
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₄
  • Molecular Weight 193.16
  • Synonym(s) 7-Methoxy-1h-benzo[d][1,3]oxazine-2,4-dione
  • SMILES O=C(C(C=C1)=C(C=C1OC)N2)OC2=O

Description

7-Methoxy-2H-3,1-benzoxazine-2,4(1H)-dione features a fused oxazine core with electron-donating methoxy and carbonyl functionalities, enabling stable integration into complex heterocyclic architectures. This bench-stable scaffold serves as a direct precursor for bioactive molecule synthesis, particularly in medicinal chemistry and agrochemical development.

Application

7-Methoxy-2H-3,1-benzoxazine-2,4(1H)-dione serves as a versatile heterocyclic building block for medicinal chemistry and materials synthesis. Its fused oxazine core exhibits enhanced bench stability and facilitates efficient functionalization at C2 and C4 positions. The methoxy group at C7 provides favorable electronic modulation and improves solubility in common organic solvents, enabling straightforward incorporation into diverse scaffolds via standard coupling reactions.

Synthesis

  • Route1
    • null|null
      32315-10-9
    • In-stock
      2-Amino-4-methoxybenzoic acid|CS-B0778
      4294-95-5
    • ~74%
    • In-stock
      7-Methoxy-2H-3,1-benzoxazine-2,4(1H)-dione|CS-0075247
      128076-63-1

    References

    • Cheng, Ran; Guo, Tianjian; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang Synthesis (Germany), 2013 , vol. 45, # 21 art. no. SS-2013-H0422-OP, p. 2998 - 3006
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 8 p. 2440 - 2455
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 8 p. 2440 - 2455

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   72.3
  • LogP   0.4899
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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