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CS-W001157 4
Total: USD 88.00

3-Benzosuberone

  • CAS No. 37949-03-4

  • Cat. No. CS-W020691
  • Purity≥97%
  • MDL No.MFCD09867716

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

3-Benzosuberone|CS-W020691

Structure of 37949-03-4

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General Information

  • CAS No. 37949-03-4
  • Cat. No. CS-W020691
  • Purity ≥97%
  • MDL No. MFCD09867716
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O
  • Molecular Weight 160.21
  • Synonym(s) 5,6,8,9-Tetrahydrobenzo[7]annulen-7-one; 5,6,8,9-Tetrahydrobenzocyclohepten-7-one; 7-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene; 8,9-Dihydro-5H-benzo[7]annulen-7(6H)-one
  • SMILES O=C1CCC2=CC=CC=C2CC1

Description

3-Benzosuberone features a rigid, fused tricyclic structure with a ketone at the bridgehead position, offering high thermal stability and defined spatial orientation. This scaffold integrates readily into complex molecular architectures, enabling precise control in synthetic routes targeting bioactive compounds and advanced materials.

Application

3-Benzosuberone serves as a versatile building block in synthetic organic chemistry, enabling the construction of complex polycyclic frameworks through Diels-Alder reactions and electrophilic functionalization. Its rigid, fused tricyclic structure provides excellent stability and predictable regiochemistry, facilitating downstream modifications in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      56613-15-1
    • ~52%
    • In-stock
      3-Benzosuberone|CS-W020691
      37949-03-4

    References

    • Bristol-Myers Squibb Company Patent: US2007/249583 A1, 2007 ; Location in patent: Page/Page column 103-104 ; US 20070249583 A1
  • Route2
    • 5H-Benzocycloheptene-6,8-dicarboxylic acid, 6,7,8,9-tetrahydro-7-oxo-, dimethyl ester|CS-0018360
      24790-66-7
    • ~82%
    • In-stock
      3-Benzosuberone|CS-W020691
      37949-03-4

    References

    • UNIVERSITE DE HAUTE ALSACE; UNIVERSITE LOUIS PASTEUR Patent: US2010/69504 A1, 2010 ; Location in patent: Page/Page column 5 ; US 20100069504 A1
  • Route3
    • null|null
      4443-91-8
    • ~99%
    • In-stock
      3-Benzosuberone|CS-W020691
      37949-03-4

    References

    • Menard, D.; St-Jacques, M. Tetrahedron, 1983 , vol. 39, # 7 p. 1041 - 1060

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.1345
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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