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CS-W001157 4
Total: USD 88.00

7-Methyl-1H-indole-5-carboxylic acid methyl ester

  • CAS No. 180624-25-3

  • Cat. No. CS-0050002
  • Molecule weight189.21
  • Purity≥98%
  • MDL No.None

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

7-Methyl-1H-indole-5-carboxylic acid methyl ester|CS-0050002

Structure of 180624-25-3

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General Information

  • CAS No. 180624-25-3
  • Cat. No. CS-0050002
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) Methyl 7-methyl-1H-indole-5-carboxylate
  • SMILES COC(=O)C1=CC2=C(NC=C2)C(C)=C1

Synthesis

  • Route1

    References

    • US2012/58986 A1, ; Page/Page column 33 ; US 20120058986 A1
  • Route2
    • null|null
      180624-22-0
    • ~60%
    • In-stock
      7-Methyl-1H-indole-5-carboxylic acid methyl ester|CS-0050002
      180624-25-3

    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
  • Route3
    • null|null
      67-56-1
    • In-stock
      3-Methyl-4-nitrobenzoic acid|CS-W017165
      3113-71-1
    • null|null
      1826-67-1
    • ~%
    • In-stock
      7-Methyl-1H-indole-5-carboxylic acid methyl ester|CS-0050002
      180624-25-3

    References

    • Organic Letters, , vol. 5, # 16 p. 2829 - 2832

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.26292
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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