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6-Amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

  • CAS No. 99584-10-8

  • Cat. No. CS-0257853
  • Purity≥95%
  • MDL No.None

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

6-Amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one|CS-0257853

Structure of 99584-10-8

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General Information

  • CAS No. 99584-10-8
  • Cat. No. CS-0257853
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₂
  • Molecular Weight 164.16
  • Synonym(s) 6-Amino-3-methyl-3H-benzooxazol-2-one
  • SMILES CN1C2=C(C=C(C=C2)N)OC1=O

Description

6-Amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one features a fused heterocyclic core with a nucleophilic amino group and a methyl-substituted oxazolone ring. This bench-stable scaffold integrates readily into bioconjugation workflows, offering enhanced solubility and reactivity for probe synthesis.

Application

6-Amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one serves as a versatile scaffold for medicinal chemistry and heterocyclic synthesis. Its amino and carbonyl functionalities enable direct derivatization via acylation, alkylation, or coupling reactions. The compound exhibits bench stability and facilitates purification by crystallization, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • 3-Methyl-6-nitrobenzo[d]oxazol-2(3H)-one|CS-0592712
      101084-61-1
    • ~94%
    • In-stock
      6-Amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one|CS-0257853
      99584-10-8

    References

    • Guelkok, Yildiz; Bicer, Tuba; Onurdag, Fatma Kaynak; Oezgen, Selda; Sahin, Mustafa Fethi; Dogruer, Deniz Songuel Turkish Journal of Chemistry, 2012 , vol. 36, # 2 p. 279 - 291
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 80, p. 1662
  • Route3
    • null|null
      121-88-0
    • ~%
    • In-stock
      6-Amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one|CS-0257853
      99584-10-8

    References

    • Journal of Heterocyclic Chemistry, , vol. 29, # 5 p. 1069 - 1076

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-P405-P501

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Computational Chemistry Data

  • TPSA   61.16
  • LogP   0.7137
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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