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CS-W001157 4
Total: USD 88.00

3-Bromo-1-methyl-1H-indole-2-carboxylic acid

  • CAS No. 499983-77-6

  • Cat. No. CS-0452986
  • Purity≥98%
  • MDL No.None

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

3-Bromo-1-methyl-1H-indole-2-carboxylic acid|CS-0452986

Structure of 499983-77-6

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General Information

  • CAS No. 499983-77-6
  • Cat. No. CS-0452986
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO₂
  • Molecular Weight 254.08
  • Synonym(s) 1-methyl-3-bromo-1H-indole-2-carboxylic acid
  • SMILES CN1C2=CC=CC=C2C(=C1C(=O)O)Br

Synthesis

  • Route1
    • null|null
      124-38-9
    • null|null
      128746-62-3
    • ~86%
    • In-stock
      3-Bromo-1-methyl-1H-indole-2-carboxylic acid|CS-0452986
      499983-77-6

    References

    • Liu, Yanbing; Gribble, Gordon W Tetrahedron Letters, 2002 , vol. 43, # 40 p. 7135 - 7137
  • Route2
    • null|null
      121195-61-7
    • ~69%
    • null|null
      3265-21-2
    • In-stock
      3-Bromo-1-methyl-1H-indole-2-carboxylic acid|CS-0452986
      499983-77-6

    References

    • Umemoto, Hideaki; Umemoto, Misako; Ohta, Chiaki; Dohshita, Masashi; Tanaka, Hiroki; Hattori, Syo; Hamamoto, Hiromi; Miki, Yasuyoshi Heterocycles, 2009 , vol. 78, # 11 p. 2845 - 2850
  • Route3
    • null|null
      121195-61-7
    • ~74%
    • In-stock
      3-Bromo-1-methyl-1H-indole-2-carboxylic acid|CS-0452986
      499983-77-6

    References

    • Hamamoto, Hiromi; Umemoto, Hideaki; Umemoto, Misako; Ohta, Chiaki; Dohshita, Masashi; Miki, Yasuyoshi Synlett, 2010 , # 17 p. 2593 - 2596

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   42.23
  • LogP   2.639
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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