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CS-W001157 4
Total: USD 88.00

3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

  • CAS No. 443956-11-4

  • Cat. No. CS-0131388
  • Molecule weight178.14
  • Purity95+%
  • MDL No.MFCD15526745

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

3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde|CS-0131388

Structure of 443956-11-4

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General Information

  • CAS No. 443956-11-4
  • Cat. No. CS-0131388
  • Purity 95+%
  • MDL No. MFCD15526745
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) 3,4-dihydro-3-oxo-2H-Pyrido[3,2-b]-1,4-oxazine-6-carboxaldehyde
  • SMILES O=CC1=CC=C(C(N2)=N1)OCC2=O

Synthesis

  • Route1
    • In-stock
      6-Bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one|CS-0039106
      337463-88-4
    • null|null
      201230-82-2
    • ~72%
    • 3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde|CS-0131388
      443956-11-4

    References

    • Hameed P., Shahul; Shanbhag, Gajanan; Shinde, Vikas; Chinnapattu, Murugan; Manjrekar, Praveena; Puttur, Jayashree; Patil, Vikas; Ugarkar, Bheemarao Synthetic Communications, 2013 , vol. 43, # 24 p. 3315 - 3321
  • Route2
    • 6-(Hydroxymethyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one|CS-0524985
      615568-38-2
    • ~72%
    • 3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde|CS-0131388
      443956-11-4

    References

    • SMITHKLINE BEECHAM P.L.C. Patent: WO2003/87098 A1, 2003 ; Location in patent: Page/Page column 73 ;
  • Route3
    • null|null
      443956-10-3
    • ~84%
    • 3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde|CS-0131388
      443956-11-4

    References

    • Singh, Sheo B.; Kaelin, David E.; Wu, Jin; Miesel, Lynn; Tan, Christopher M.; Meinke, Peter T.; Olsen, David; Lagrutta, Armando; Bradley, Prudence; Lu, Jun; Patel, Sangita; Rickert, Keith W.; Smith, Robert F.; Soisson, Stephen; Wei, Changqing; Fukuda, Hideyuki; Kishii, Ryuta; Takei, Masaya; Fukuda, Yasumichi ACS Medicinal Chemistry Letters, 2014 , vol. 5, # 5 p. 609 - 614

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   68.29
  • LogP   0.225
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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