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m-Isobutyl ibuprofen

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m-Isobutyl ibuprofen Basic information
Product Name:m-Isobutyl ibuprofen
Synonyms:2-(3-Isobutylphenyl)propionic Acid;α-Methyl-3-(2-Methylpropyl)benzeneacetic Acid, α-(3-Isobutylphenyl)propionic Acid;α-Methyl-3-(2-Methylpropyl)phenylacetic Acid;Ibuprofen IMpurity-A (EP);Ibuprofen-1;Ibuprofen EP IMP A;Ibuprofen impurity 1/Ibuprofen EP Impurity A/m-Isobutyl Ibuprofen;m-Isobutyl Ibuprofen(Ibuprofen EP Impurity A)
CAS:66622-47-7
MF:C13H18O2
MW:206.28
EINECS:
Product Categories:Aromatics;Inhibitors;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
Mol File:66622-47-7.mol
m-Isobutyl ibuprofen Structure
m-Isobutyl ibuprofen Chemical Properties
Boiling point 314.8±11.0 °C(Predicted)
density 1.029±0.06 g/cm3(Predicted)
storage temp. Refrigerator
solubility Chloroform (Slightly), Methanol (Slightly)
form Oil
pka4.35±0.10(Predicted)
color Colourless
Major Applicationpharmaceutical (small molecule)
InChI1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15)
InChIKeySFVKLYXPBKITCE-UHFFFAOYSA-N
SMILESOC(=O)C(C)c1cc(ccc1)CC(C)C
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
MSDS Information
m-Isobutyl ibuprofen Usage And Synthesis
Usesm-Isobutyl Ibuprofen (Ibuprofen EP Impurity A) is an Ibuprofen (I140000) impurity used in the study of potent noncompetitive interleukin-8 inhibitors.
Usesm-Isobutyl Ibuprofen is an Ibuprofen (I140000) impurity used in the study of potent noncompetitive interleukin-8 inhibitors.
Synthesis Reference(s)Synthesis, p. 444, 1983 DOI: 10.1055/s-1983-30369
Tag:m-Isobutyl ibuprofen(66622-47-7) Related Product Information
Ibuprofen 6-isobutyl-3-methyl-2,3-dihydro-1H-inden-1-one 2-[4-(2-Methylpropyl)phenyl] ethanol Ibuprofen Ethyl Ester (S)-(+)-Ibuprofen Ibuprofen Impurity 59 Ibuprofen Impurity 7 Ibuprofen Impurity 2 Ibuprofen Related Compound C 2-(4-isobutylphenyl)propionaldehyde 4'-(2-Methylpropyl)acetophenone (2RS)-2-(4-ISOBUTYRYLPHENYL)PROPANOIC ACID 1-Hydroxyibuprofen (2RS)-2-(4-Formylphenyl)propanoic acid (2RS)-2-(4-n-Propylphenyl)propanoic acid 3-(4-Isobutyl-phenyl)-propionic acid (2RS)-2-(4-Butylphenyl)propanoic acid (2RS)-2-(4-Ethylphenyl)propanoic acid