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(3S)-3-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

  • CAS No. 104873-98-5

  • Cat. No. CS-0122362
  • Molecule weight190.20
  • Purity≥98%
  • MDL No.MFCD01318638

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

(3S)-3-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione|CS-0122362

Structure of 104873-98-5

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General Information

  • CAS No. 104873-98-5
  • Cat. No. CS-0122362
  • Purity ≥98%
  • MDL No. MFCD01318638
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₂
  • Molecular Weight 190.20
  • Synonym(s) 3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
  • SMILES O=C([C@H](C)N1)NC2=CC=CC=C2C1=O

Synthesis

  • Route1

    References

    • Clark, Rachel L.; Carter, Katharine C.; Mullen, Alexander B.; Coxon, Geoffrey D.; Owusu-Dapaah, George; McFarlane, Emma; Duong Thi, M. Dao; Grant, M. Helen; Tettey, Justice N.A.; Mackay, Simon P. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 624 - 627
  • Route2
    • null|null
      34897-85-3
    • ~%
    • (3S)-3-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione|CS-0122362
      104873-98-5

    References

    • Tetrahedron Letters, , vol. 45, # 44 p. 8187 - 8190
  • Route3
    • null|null
      769120-97-0
    • ~%
    • (3S)-3-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione|CS-0122362
      104873-98-5

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 10 p. 2603 - 2607

Safety Information

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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

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Computational Chemistry Data

  • TPSA   58.2
  • LogP   0.757
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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