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CS-W001157 4
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11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

  • CAS No. 1012884-46-6

  • Cat. No. CS-M0228
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD15145473

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

11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one|CS-M0228

Structure of 1012884-46-6

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General Information

  • CAS No. 1012884-46-6
  • Cat. No. CS-M0228
  • Purity ≥98%
  • MDL No. MFCD15145473
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₂ClNO₂
  • Molecular Weight None
  • Synonym(s) 6,7]oxepino[4,5-c]pyrrol-1-one
  • SMILES O=C1C(C(C=C(Cl)C=C2)=C2OC3=C4C=CC=C3)=C4CN1C

Synthesis

  • Route1
    • 3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione|CS-0653666
      1162120-35-5
    • ~96%
    • In-stock
      11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one|CS-M0228
      1012884-46-6

    References

    • WO2013/11461 A1, ; Page/Page column 11-13 ;
  • Route2
    • 5-Chloro-2-phenoxybenzeneacetic acid|CS-0653664
      70958-20-2
    • ~%
    • In-stock
      11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one|CS-M0228
      1012884-46-6

    References

    • Organic Process Research and Development, , vol. 12, # 2 p. 196 - 201

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

Quality Control

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   3.8285
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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