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3-Hydroxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one

  • CAS No. 5454-03-5

  • Cat. No. CS-0342432
  • Purity≥98%
  • MDL No.None

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

3-Hydroxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one|CS-0342432

Structure of 5454-03-5

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General Information

  • CAS No. 5454-03-5
  • Cat. No. CS-0342432
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) 3-Hydroxy-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one
  • SMILES O=C1CCCCC2=CC=C(O)C=C21

Synthesis

  • Route1
    • 3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one|CS-0007699
      95207-68-4
    • ~%
    • 3-Hydroxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one|CS-0342432
      5454-03-5

    References

    • ACADEMIA SINICA; WONG, Chi-Huey; FANG, Jim-Min; SHIE, Jiun-Jie Patent: WO2014/31762 A1, 2014 ; Location in patent: Paragraph 00117 ;
  • Route2
    • 3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one|CS-0006397
      7507-93-9
    • ~%
    • 3-Hydroxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one|CS-0342432
      5454-03-5

    References

    • ACADEMIA SINICA; WONG, Chi-Huey; FANG, Jim-Min; SHIE, Jiun-Jie Patent: WO2014/31762 A1, 2014 ;
  • Route3

    References

    • ACADEMIA SINICA; WONG, Chi-Huey; FANG, Jim-Min; SHIE, Jiun-Jie Patent: WO2014/31762 A1, 2014 ;

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.3013
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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