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CS-W001157 4
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8-Methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

  • CAS No. 22246-83-9

  • Cat. No. CS-0004299
  • Molecule weight191.23
  • Purity≥98%
  • MDL No.MFCD00667666

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

8-Methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one|CS-0004299

Structure of 22246-83-9

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General Information

  • CAS No. 22246-83-9
  • Cat. No. CS-0004299
  • Purity ≥98%
  • MDL No. MFCD00667666
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) 2H-1-BENZAZEPIN-2-ONE, 1,3,4,5-TETRAHYDRO-8-METHOXY-
  • SMILES O=C1NC2=CC(OC)=CC=C2CCC1

Synthesis

  • Route1
    • 7-Methoxy-1-tetralone Agomelatine Impurity|CS-0214044
      6836-19-7
    • ~61%
    • In-stock
      8-Methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one|CS-0004299
      22246-83-9

    References

    • CEPHALON, INC.; PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2008/51547 A1, 2008 ; Location in patent: Page/Page column 361 ; WO 2008/051547 A1
  • Route2
    • null|null
      20175-97-7
    • ~%
    • In-stock
      8-Methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one|CS-0004299
      22246-83-9

    References

    • Antex Pharma Inc. Patent: US6514965 B1, 2003 ;
  • Route3
    • 7-Methoxy-1-tetralone Agomelatine Impurity|CS-0214044
      6836-19-7
    • ~0%
    • 8-Methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one|CS-0112928
      22246-71-5
    • In-stock
      8-Methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one|CS-0004299
      22246-83-9

    References

    • Crosby, Ian T.; Shin, James K.; Capuano, Ben Australian Journal of Chemistry, 2010 , vol. 63, # 2 p. 211 - 226

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   1.97
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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