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CS-W001157 4
Total: USD 88.00

6-Methoxy-2-phenyl-1h-1,3-benzodiazole

  • CAS No. 79877-53-5

  • Cat. No. CS-0127464
  • Purity≥98%
  • MDL No.MFCD00626344

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

6-Methoxy-2-phenyl-1h-1,3-benzodiazole|CS-0127464

Structure of 79877-53-5

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General Information

  • CAS No. 79877-53-5
  • Cat. No. CS-0127464
  • Purity ≥98%
  • MDL No. MFCD00626344
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂N₂O
  • Molecular Weight 224.26
  • Synonym(s) 5-methoxy-2-phenyl-1H-1,3-benzodiazole hydrochloride
  • SMILES COC1=CC=C2N=C(C3=CC=CC=C3)NC2=C1

Synthesis

  • Route1
    • null|null
      100-52-7
    • null|null
      96-96-8
    • ~64%
    • 6-Methoxy-2-phenyl-1h-1,3-benzodiazole|CS-0127464
      79877-53-5

    References

    • Zhou, Binhua; Li, Baojian; Yi, Wei; Bu, Xianzhang; Ma, Lin Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 13 p. 3759 - 3763
  • Route2
    • N-benzyl-4-methoxy-2-nitroaniline|CS-0560148
      2215-44-3
    • ~76%
    • 6-Methoxy-2-phenyl-1h-1,3-benzodiazole|CS-0127464
      79877-53-5

    References

    • Hubbard, Jeremiah W.; Piegols, Adam M.; Soederberg, Bjoern C.G. Tetrahedron, 2007 , vol. 63, # 30 p. 7077 - 7085
  • Route3
    • null|null
      100-52-7
    • 4-Methoxy-1,2-benzenediamine|CS-W001175
      102-51-2
    • ~89%
    • 6-Methoxy-2-phenyl-1h-1,3-benzodiazole|CS-0127464
      79877-53-5

    References

    • Lin, Songnian; Yang, Lihu Tetrahedron Letters, 2005 , vol. 46, # 25 p. 4315 - 4319

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.91
  • LogP   3.2385
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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