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CS-W001157 4
Total: USD 88.00

3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one

  • CAS No. 95207-68-4

  • Cat. No. CS-0007699
  • Purity95+%
  • MDL No.MFCD00090176

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

3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one|CS-0007699

Structure of 95207-68-4

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General Information

  • CAS No. 95207-68-4
  • Cat. No. CS-0007699
  • Purity 95+%
  • MDL No. MFCD00090176
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO
  • Molecular Weight 175.23
  • Synonym(s) 3-amino-6,7,8,9-tetrahydrobenzocyclohepten-5-one
  • SMILES O=C1CCCCC2=CC=C(N)C=C21

Synthesis

  • Route1
    • 3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one|CS-0006397
      7507-93-9
    • ~86%
    • 3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one|CS-0007699
      95207-68-4

    References

    • Murineddu, Gabriele; Ruiu, Stefania; Loriga, Giovanni; Manca, Ilaria; Lazzari, Paolo; Reali, Roberta; Pani, Luca; Toma, Lucio; Pinna, Gerard A. Journal of Medicinal Chemistry, 2005 , vol. 48, # 23 p. 7351 - 7362
  • Route2
    • 3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one|CS-0006397
      7507-93-9
    • ~%
    • 3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol|CS-1671196
      103858-43-1
    • 3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one|CS-0007699
      95207-68-4

    References

    • WO2004/69244 A1, ; Page/Page column 67 ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 48, # 23 p. 7351 - 7362

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   43.09
  • LogP   2.1779
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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