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CS-W001157 4
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tert-Butyl 2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate

  • CAS No. 195983-63-2

  • Cat. No. CS-0063907
  • Molecule weight248.32
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate|CS-0063907

Structure of 195983-63-2

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General Information

  • CAS No. 195983-63-2
  • Cat. No. CS-0063907
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀N₂O₂
  • Molecular Weight 248.32
  • Synonym(s) 4-Boc-2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine
  • SMILES O=C(N1CCNC2=CC=CC=C2C1)OC(C)(C)C

Synthesis

  • Route1

    References

    • US6011029 A1, ;
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 42, # 25 p. 5241 - 5253
  • Route3
    • 2,3,4,5-Tetrahydro-1h-1,4-benzodiazepine|CS-0126746
      5946-39-4
    • ~%
    • tert-Butyl 2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate|CS-0063907
      195983-63-2

    References

    • US2003/162964 A1, ;

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

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   2.8492
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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