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7-Chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

  • CAS No. 5177-39-9

  • Cat. No. CS-0085142
  • Molecule weight210.62
  • Purity≥97%
  • MDL No.MFCD00024146

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

7-Chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione|CS-0085142

Structure of 5177-39-9

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General Information

  • CAS No. 5177-39-9
  • Cat. No. CS-0085142
  • Purity ≥97%
  • MDL No. MFCD00024146
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClN₂O₂
  • Molecular Weight 210.62
  • Synonym(s) 7-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
  • SMILES O=C(NCC(N1)=O)C2=C1C=CC(Cl)=C2

Synthesis

  • Route1

    References

    • State of Oregon, Acting by and through the Oregon State Board of Higher Education, Acting for and on Behalf of the Oregon Health Sciences University and the University of Oregon; Acea Pharmaceuticals, Inc.; The Regents of the University of California Patent: US5597922 A1, 1997 ; US 5597922 A
  • Route2

    References

    • Gates, Marshall Journal of Organic Chemistry, 1980 , vol. 45, # 9 p. 1675 - 1681
  • Route3
    • 6-Chlorobenzo[d][1,2,3]triazin-4(1H)-one|CS-0087961
      37429-97-3
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~55%
    • In-stock
      7-Chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione|CS-0085142
      5177-39-9

    References

    • Gupta, Renu; Sirohi, Reenu; Shastri, Sudha; Kishore Heterocyclic Communications, 2003 , vol. 9, # 4 p. 363 - 366

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-H317-H319
Precautionary Statements : P261-P272-P280-P302+P352-P333+P317-P362+P364-P264-P270-P301+P310-P305+P351+P338-P330-P337+P313-P501

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Computational Chemistry Data

  • TPSA   58.2
  • LogP   1.0219
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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