64577-25-9

Basic information

• Product Name: <1-13C>-3-phenylpropionic acid
• Synonyms: <1-13C>-3-phenylpropionic acid
• CAS NO: 64577-25-9
• Molecular Weight: 151.166
• Mol File: 64577-25-9.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: <1-13C>-3-phenylpropionic acid(CAS DataBase Reference)
• NIST Chemistry Reference: <1-13C>-3-phenylpropionic acid(64577-25-9)
• EPA Substance Registry System: <1-13C>-3-phenylpropionic acid(64577-25-9)

Safety Data

• Hazardous Substances Data: 64577-25-9(Hazardous Substances Data)

Upstream product

• 1111-72-4 carbon dioxide 
• 645-45-4 hydrocinnamic acid chloride 
• 74895-26-4 <1-13C>-(E)-methyl cinnamate 
• 88058-20-2 C₉⁽¹³⁾CH₁₀O₂ 
• 74895-25-3 <1-13C>-(Z)-cinnamic acid 
• 61633-35-0 <1-13C>-3-phenylpropynoic acid 
• 74895-27-5 <1-13C>-(E)-cinnamic acid 
• 3277-89-2 phenethylmagnesium bromide 

Relevant articles and documents

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Palladium-Catalyzed Carbon Isotope Exchange on Aliphatic and Benzoic Acid Chlorides

An operationally simple protocol for a palladium-catalyzed 13CO and 14CO exchange with activated aliphatic and benzoic carbonyls is presented. Several 13C and 14C building blocks, natural product derivatives, an

Synthesis and acidity constants of 13CO2H-labelled mono and dipyrrole carboxylic acids. pKa from 13C-NMR

Six monocarboxylic acids were prepared highly enriched with 13C in their CO2H groups, and their pKa values were determined at low concentrations 10-4-10-5 M in H2O and in H2O-(CD3)2SO mixtures by analysis of pH-dependent 13CO2H NMR chemical shifts. Plots of the variation of CO2H(CO2-) 13C-NMR chemical shift vs pH gave a typical titration curve from which pKa's for [1-13C]-phenylpropionic (1) and [1-13C]-phenylacetic (2) acids were determined to be 4.60 and 4.16 respectively in H2O, and 4.67 and 4.31 respectively in H2O-27% vol (CD3)2SO. Bilirubin analogs, xanthobilirubic acid (5) and nor-xanthobilirubic acid (6) were determined to have pKa values of 4.76 and 4.64 respectively in H2O-27% vol (CD3)2SO, and extrapolated to pKa values and 4.62 and 4.51 in H2O.