4-(2-Oxiranylmethoxy-d5)benzeneacetic Acid Ethyl Ester

• CAT Number: R010633
• CAS Number: 1189858-70-5
• Molecular Formula: C13H16O4
• Molecular Weight: 241.298
• Purity: ≥95%
• Synonyms: 4-(Oxiranylmethoxy-d5)benzeneacetic Acid Ethyl Ester
• Storage: -20°C
• IUPAC Name: ethyl 2-[4-[dideuterio-(2,3,3-trideuteriooxiran-2-yl)methoxy]phenyl]acetate
• InChI: InChI=1S/C13H16O4/c1-2-15-13(14)7-10-3-5-11(6-4-10)16-8-12-9-17-12/h3-6,12H,2,7-9H2,1H3/i8D2,9D2,12D
• InChIKey: QZHLDJPUZBXUSM-FPWSDNDASA-N
• SMILES: [2H]C1(C(O1)([2H])C([2H])([2H])OC2=CC=C(C=C2)CC(=O)OCC)[2H]

4-(2-Oxiranylmethoxy-d5)benzeneacetic Acid Ethyl Ester is a deuterated compound featuring five deuterium atoms, making it a valuable tool in the fields of organic synthesis, medicinal chemistry, and drug metabolism studies. This isotopically labeled ester is particularly useful in the investigation of epoxide-containing molecules and their reactivity, as well as in the study of metabolic pathways involving ester hydrolysis. The deuterium atoms enhance the precision of NMR spectroscopy and mass spectrometry analyses, allowing for accurate tracking and quantification in complex biological matrices. 4-(2-Oxiranylmethoxy-d5)benzeneacetic Acid Ethyl Ester is essential for research focused on drug development, reaction mechanisms, and the synthesis of bioactive molecules, providing reliable and consistent data for advanced chemical and pharmaceutical research.