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

Product Name 4-(2-Oxiranylmethoxy-d5)benzeneacetic Acid Ethyl Ester
CAT No. CS-T-83903
CAS No. 1189858-70-5
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys O=C(OCC)CC1=CC=C(OC([2H])([2H])C2([2H])OC2([2H])[2H])C=C1
Canonical Smiles CCOC(=O)CC1=CC=C(C=C1)OCC2CO2
InchIKey QZHLDJPUZBXUSM-FPWSDNDASA-N
Inchl 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
IUPAC ethyl 2-[4-[dideuterio-(2,3,3-trideuteriooxiran-2-yl)methoxy]phenyl]acetate
Controlled No
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4-(2-Oxiranylmethoxy-d5)benzeneacetic Acid Ethyl Ester, also known as Ethyl 4-(2-((2,3,4,5,5-pentadeuterio-2-oxiranyl)methoxy)-phenyl)-acetic acid, is a deuterated analogue of the commonly used benzeneacetic acid ethyl ester. This compound is primarily used in organic synthesis and pharmaceutical research as a labeled compound for NMR (nuclear magnetic resonance) spectroscopy studies. The compound is prepared by reacting 4-hydroxybenzeneacetic acid ethyl ester with deuterated epichlorohydrin in the presence of a base. The resulting compound has a molecular weight of 248.33 g/mol, a boiling point of 399.5°C at 760 mmHg, and a melting point of 54-55°C. Chemically, this compound is an acetic acid ester with a substituted benzene ring. The deuterium atoms in the epoxide ring make it useful in the NMR spectroscopy studies. The compound is stable under normal laboratory conditions and can be stored for extended periods without degradation. In conclusion, 4-(2-Oxiranylmethoxy-d5)benzeneacetic Acid Ethyl Ester is a labeled compound used in NMR spectroscopy studies for organic synthesis and pharmaceutical research. Its unique properties make it a valuable tool in the study of complex chemical reactions and biological processes.

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