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7-Methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

  • CAS No. 22245-89-2

  • Cat. No. CS-0004304
  • Purity≥98%
  • MDL No.MFCD00667623

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

7-Methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one|CS-0004304

Structure of 22245-89-2

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General Information

  • CAS No. 22245-89-2
  • Cat. No. CS-0004304
  • Purity ≥98%
  • MDL No. MFCD00667623
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) 7-Methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
  • SMILES O=C(CCC1)NC(C1=C2)=CC=C2OC

Synthesis

  • Route1

    References

    • Pfizer Products Inc. Patent: EP1175417 B1, 2004 ; Location in patent: Page 20 ;
  • Route2

    References

    • Crosby, Ian T.; Shin, James K.; Capuano, Ben Australian Journal of Chemistry, 2010 , vol. 63, # 2 p. 211 - 226
  • Route3
    • 6-Methoxy-3,4-dihydronaphthalen-1(2H)-one oxime|CS-0594013
      54951-36-9
    • ~66%
    • In-stock
      7-Methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one|CS-0004304
      22245-89-2

    References

    • Kuo, Chun-Wei; Hsieh, Min-Tsang; Gao, Shijay; Shao, Yi-Ming; Yao, Ching-Fa; Shia, Kak-Shan Molecules, 2012 , vol. 17, # 11 p. 13662 - 13672

Safety Information

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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-P330-P362+P364-P405-P501

Quality Control

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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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