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CS-W001157 4
Total: USD 88.00

1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one

  • CAS No. 5755-07-7

  • Cat. No. CS-B1191
  • Molecule weight162.19
  • Purity≥95%
  • MDL No.MFCD00612448

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

1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one|CS-B1191

Structure of 5755-07-7

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General Information

  • CAS No. 5755-07-7
  • Cat. No. CS-B1191
  • Purity ≥95%
  • MDL No. MFCD00612448
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O
  • Molecular Weight 162.19
  • Synonym(s) 2,3,4,5-Tetrahydro-1H-1,5-benzodiazepin-2-one; 2-Oxo-3H-1,2,4,5-tetrahydro-1,5-benzodiazepine; 1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
  • SMILES O=C1NC2=CC=CC=C2NCC1

Synthesis

  • Route1
    • Methyl 3-((2-aminophenyl)amino)propanoate|CS-0723364
      1270914-58-3
    • ~51%
    • In-stock
      1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one|CS-B1191
      5755-07-7

    References

    • CONSTELLATION PHARMACEUTICALS, INC.; ALBRECHT, Brian, K.; GEHLING, Victor, S.; HEWITT, Michael, C.; TAYLOR, Alexander, M.; HARMANGE, Jean-Christophe Patent: WO2012/151512 A2, 2012 ; Location in patent: Page/Page column 113-114 ;
  • Route2
    • null|null
      95-54-5
    • null|null
      79-10-7
    • ~70%
    • In-stock
      1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one|CS-B1191
      5755-07-7

    References

    • Baraldi, Pier Giovanni; Ruggiero, Emanuela; Tabrizi, Mojgan Aghazadeh Journal of Heterocyclic Chemistry, 2014 , vol. 51, # 1 p. 101 - 105
  • Route3
    • In-stock
      Azetidin-2-one|CS-W011364
      930-21-2
    • null|null
      615-36-1
    • ~3%
    • In-stock
      1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one|CS-B1191
      5755-07-7
    • null|null
      682341-17-9

    References

    • Journal of the American Chemical Society, , vol. 126, # 11 p. 3529 - 3533

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   41.13
  • LogP   1.4407
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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