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2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid

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2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid Basic information

Product Name:
2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid
Synonyms:
  • Febuxostat Impurity 26 (2-(3-carboxy-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid)
  • Febuxostat Dicarboxylic Acid Impurity
  • 2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid
  • 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid
  • Febuxostat Impurity C (DA)
  • 2-[3-carboxyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid
  • Febuxostat impurity 6/Febuxostat Dicarboxylic Acid/2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid
  • Febuxostat-2
CAS:
1239233-87-4
MF:
C16H17NO5S
MW:
335.37
Product Categories:
  • Aromatics, Heterocycles, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
  • ZY
Mol File:
1239233-87-4.mol
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2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid Chemical Properties

Melting point:
218-222°C
Boiling point:
568.9±60.0 °C(Predicted)
Density 
1.327±0.06 g/cm3(Predicted)
storage temp. 
Refrigerator
solubility 
DMSO (Slightly), Methanol (Slightly)
pka
1.21±0.37(Predicted)
form 
Solid
color 
White to Off-White
InChI
InChI=1S/C16H17NO5S/c1-8(2)7-22-12-5-4-10(6-11(12)15(18)19)14-17-9(3)13(23-14)16(20)21/h4-6,8H,7H2,1-3H3,(H,18,19)(H,20,21)
InChIKey
WSCLTDCYZOTAKS-UHFFFAOYSA-N
SMILES
S1C(C(O)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(C(O)=O)=C1
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2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid Usage And Synthesis

Uses

2-[3-Carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid is an impurity of Febuxostat (F229000), an xanthine oxidase/ xanthine dehydrogenase inhibitor used for the treatment of hyperuricemia and chronic gout.

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