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CS-W001157 4
Total: USD 88.00

4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-2(3H)-one

  • CAS No. 357426-13-2

  • Cat. No. CS-0187907
  • Purity≥95%
  • MDL No.None

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

4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-2(3H)-one|CS-0187907

Structure of 357426-13-2

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General Information

  • CAS No. 357426-13-2
  • Cat. No. CS-0187907
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO
  • Molecular Weight 173.21
  • Synonym(s) None
  • SMILES O=C1NCC2CC1C3=CC=CC=C23

Synthesis

  • Route1
    • null|null
      357426-11-0
    • ~50%
    • 4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-2(3H)-one|CS-0187907
      357426-13-2

    References

    • O'Donnell, Christopher J.; Singer, Robert A.; Brubaker, Jason D.; McKinley, Jason D. Journal of Organic Chemistry, 2004 , vol. 69, # 17 p. 5756 - 5759
  • Route2
    • Methyl 3-(aminomethyl)-2,3-dihydro-1h-indene-1-carboxylate|CS-0663675
      357426-12-1
    • ~%
    • 4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-2(3H)-one|CS-0187907
      357426-13-2

    References

    • Pfizer Inc Patent: US6605610 B1, 2003 ;
  • Route3
    • null|null
      474024-38-9
    • ~%
    • 4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-2(3H)-one|CS-0187907
      357426-13-2

    References

    • Singer, Robert A.; McKinley, Jason D.; Barbe, Guillaume; Farlow, Robin A. Organic Letters, 2004 , vol. 6, # 14 p. 2357 - 2360

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   1.3873
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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