Description

4-(2-Oxiranylmethoxy-D5)Benzeneacetic Acid Ethyl Ester is a deuterated derivative of a key epoxy-functional aromatic ester, where five hydrogen atoms are replaced with deuterium. This deuteration is critical for enhancing metabolic stability and traceability in advanced research applications, particularly in pharmacokinetic and mechanistic studies. It serves as a valuable synthetic intermediate and analytical standard for pharmaceutical R&D, agrochemical development, and material science, where isotopic labeling is required.

Application

• Pharmaceutical Intermediate: Used in the synthesis of deuterated active pharmaceutical ingredients (APIs) for improved drug metabolism and pharmacokinetics (DMPK) studies.
• Metabolite Tracing: Acts as a stable isotope-labeled internal standard in LC-MS and GC-MS analysis for accurate quantification and metabolite identification.
• Mechanistic Probes: Employed in chemical and biological research to investigate reaction mechanisms and pathways using deuterium isotope effects.
• Agrochemical Development: Serves as a building block for creating novel, isotopically labeled crop protection agents with enhanced environmental and metabolic profiles.
• Polymer & Material Science: Utilized as a monomer or modifier in the development of specialized epoxy resins and polymers with tailored properties.
• Academic & Contract Research: Essential for universities and CROs conducting cutting-edge research in synthetic organic chemistry and analytical method development.

Basic Information

Product Name	4-(2-Oxiranylmethoxy-D5)Benzeneacetic Acid Ethyl Ester
CAS No.	1189858-70-5
Molecular Formula	C13H11D5O4
Molecular Weight	~241.30 g/mol
Synonyms	Ethyl 4-(2-Oxiranylmethoxy-D5)phenylacetate; Ethyl [4-(Glycidyloxy-D5)phenyl]acetate; Ethyl 4-(Glycidyloxy-D5)benzeneacetate; Deutero-labeled Glycidyl Phenylacetate Ethyl Ester; D5-Ethyl 4-(Glycidyloxy)phenylacetate; Ethyl (4-((Oxiran-2-ylmethoxy)-D5)phenyl)acetate; Aromatic Epoxy Ester-D5
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced under strict quality control protocols to ensure high isotopic purity and chemical integrity. Each batch is characterized by advanced analytical techniques including NMR (¹H, ¹³C, ²H), HPLC, and GC-MS to confirm deuteration level and chemical purity. Certificates of Analysis (COA) are provided, detailing specifications for assay, isotopic enrichment, and impurity profiles. We adhere to cGMP principles where applicable to support regulatory filings.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Keep away from strong acids and organic solvents. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (Deuteration, NMR)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.