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CS-W001157 4
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4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid

  • CAS No. 54001-13-7

  • Cat. No. CS-0237700
  • Molecule weight233.29
  • Purity95+%
  • MDL No.None

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

4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid|CS-0237700

Structure of 54001-13-7

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General Information

  • CAS No. 54001-13-7
  • Cat. No. CS-0237700
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₂S
  • Molecular Weight 233.29
  • Synonym(s) OTAVA-BB BB7020331252
  • SMILES CC1=CC=C(C=C1)C2=NC(=C(C(=O)O)S2)C

Synthesis

  • Route1
    • Ethyl 4-methyl-2-(p-tolyl)thiazole-5-carboxylate|CS-0366605
      54001-09-1
    • ~89%
    • 4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid|CS-0237700
      54001-13-7

    References

    • KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN Randamp;;D; reMYND; GRIFFIOEN, Gerard; VAN DOOREN, Tom; ROJAS DE LA PARRA, Veronica; MARCHAND, Arnaud; ALLASIA, Sara; KILONDA, Amuri; CHALTIN, Patrick Patent: WO2010/142801 A1, 2010 ; Location in patent: Page/Page column 156 ; WO 2010/142801 A1
  • Route2
    • 1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethan-1-one|CS-0257321
      54001-03-5
    • ~%
    • 4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid|CS-0237700
      54001-13-7

    References

    • Archiv der Pharmazie, , vol. 314, # 9 p. 744 - 750
  • Route3

    References

    • Justus Liebigs Annalen der Chemie, , p. 1195 - 1205

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P405-P501

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   3.12514
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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