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CS-W001157 4
Total: USD 88.00

1-(4-Fluorobenzyl)-1H-indole

  • CAS No. 204205-77-6

  • Cat. No. CS-0449710
  • Purity≥98%
  • MDL No.None

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

1-(4-Fluorobenzyl)-1H-indole|CS-0449710

Structure of 204205-77-6

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General Information

  • CAS No. 204205-77-6
  • Cat. No. CS-0449710
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂FN
  • Molecular Weight 225.26
  • Synonym(s) 1-[(4-fluorophenyl)methyl]indole
  • SMILES C1=CC=C2C(=C1)C=CN2CC3=CC=C(C=C3)F

Synthesis

  • Route1
    • Indole, ≥99%|CS-1268948
      120-72-9
    • null|null
      352-11-4
    • ~93%
    • 1-(4-Fluorobenzyl)-1H-indole|CS-0449710
      204205-77-6

    References

    • ASTA Medica AG Patent: US6344467 B1, 2002 ; Location in patent: Page column 6, 8 ;
  • Route2
    • Indole, ≥99%|CS-1268948
      120-72-9
    • null|null
      459-46-1
    • ~86%
    • 1-(4-Fluorobenzyl)-1H-indole|CS-0449710
      204205-77-6

    References

    • Marchand, Pascal; Antoine, Maud; Baut, Guillaume Le; Czech, Michael; Baasner, Silke; Guenther, Eckhard Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 18 p. 6715 - 6727
  • Route3

    References

    • Mao, Hui; Xu, Runsheng; Wan, Jieping; Jiang, Zhengyang; Sun, Cuirong; Pan, Yuanjiang Chemistry - A European Journal, 2010 , vol. 16, # 45 p. 13352 - 13355

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

Quality Control

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Computational Chemistry Data

  • TPSA   4.93
  • LogP   3.8287
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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