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CS-W001157 4
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1,5-Dihydro-2H-benzo[b][1,4]diazepine-2,4(3H)-dione

  • CAS No. 49799-48-6

  • Cat. No. CS-0133101
  • Molecule weight176.17
  • Purity≥97%
  • MDL No.None

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

1,5-Dihydro-2H-benzo[b][1,4]diazepine-2,4(3H)-dione|CS-0133101

Structure of 49799-48-6

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General Information

  • CAS No. 49799-48-6
  • Cat. No. CS-0133101
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione
  • SMILES O=C(NC1=CC=CC=C1N2)CC2=O

Synthesis

  • Route1
    • null|null
      141-82-2
    • null|null
      95-54-5
    • ~92%
    • 1,5-Dihydro-2H-benzo[b][1,4]diazepine-2,4(3H)-dione|CS-0133101
      49799-48-6

    References

    • Keita; Lazrak; Essassi; Cherif Alaoui; Kandri Rodi; Bellan; Pierrot Phosphorus, Sulfur and Silicon and the Related Elements, 2003 , vol. 178, # 7 p. 1541 - 1548
  • Route2
    • null|null
      95-54-5
    • ~%
    • 1,5-Dihydro-2H-benzo[b][1,4]diazepine-2,4(3H)-dione|CS-0133101
      49799-48-6

    References

    • Athena Neurosciences, Inc.; Eli Lilly Company Patent: US6506782 B1, 2003 ; Title/Abstract Full Text Show Details Elan Pharmaceuticals, Inc.; Eli Lilly and Company Patent: US6509331 B1, 2003 ;
  • Route3
    • null|null
      95-54-5
    • null|null
      105-53-3
    • ~69%
    • 1,5-Dihydro-2H-benzo[b][1,4]diazepine-2,4(3H)-dione|CS-0133101
      49799-48-6

    References

    • Li, Xin-Juan; Shang, Xue-Fang; Liu, Lei-Lei; Xi, Nan-Kai; Zhang, Jin-Lian; Xu, Xiu-Fang Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2012 , vol. 73, # 1-4 p. 185 - 192

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   58.2
  • LogP   0.9673
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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