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CS-W001157 4
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5,7-Dimethyl-1H-indole

  • CAS No. 54020-53-0

  • Cat. No. CS-0322955
  • Purity≥98%
  • MDL No.None

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

5,7-Dimethyl-1H-indole|CS-0322955

Structure of 54020-53-0

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General Information

  • CAS No. 54020-53-0
  • Cat. No. CS-0322955
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N
  • Molecular Weight 145.20
  • Synonym(s) 5,7-Dimethylindole
  • SMILES CC1=CC(=C2C(=C1)C=CN2)C

Synthesis

  • Route1
    • 2,4-Dimethyl-6-((trimethylsilyl)ethynyl)aniline|CS-0998495
      180624-12-8
    • ~84%
    • 5,7-Dimethyl-1H-indole|CS-0322955
      54020-53-0

    References

    • Ezquerra, Jesus; Pedregal, Concepcion; Lamas, Carlos; Barluenga, Jose; Perez, Marta; Garcia-Martin, Miguel Angel; Gonzalez, Jose M. Journal of Organic Chemistry, 1996 , vol. 61, # 17 p. 5804 - 5812
  • Route2

    References

    • SALMEDIX, INC. Patent: WO2005/33112 A2, 2005 ; Location in patent: Page/Page column 97 ;
  • Route3
    • 2-Iodo-4,6-dimethylaniline|CS-0323240
      4102-54-9
    • ~%
    • 5,7-Dimethyl-1H-indole|CS-0322955
      54020-53-0

    References

    • Ezquerra, Jesus; Pedregal, Concepcion; Lamas, Carlos; Barluenga, Jose; Perez, Marta; Garcia-Martin, Miguel Angel; Gonzalez, Jose M. Journal of Organic Chemistry, 1996 , vol. 61, # 17 p. 5804 - 5812

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   2.78474
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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