Description

1H-Pyrazole, 4-[2-(Methoxy-D3)Ethyl]-3,5-Dimethyl- (9Ci) is a deuterated pyrazole derivative, a specialized building block of significant interest in advanced chemical synthesis. Its core value lies in its incorporation of a deuterated methoxyethyl group, which is critical for modifying the metabolic and pharmacokinetic profiles of target molecules. This compound is primarily needed by research and development teams in the pharmaceutical and agrochemical industries, particularly for applications in drug discovery, metabolic studies, and the development of novel active ingredients. The CAS number for this compound is 104939-43-7.

Application

• Pharmaceutical Intermediate: A key deuterated synthon for the research and development of new Active Pharmaceutical Ingredients (APIs), especially in medicinal chemistry programs focusing on metabolic stability and isotope labeling.
• Metabolic Studies (D-Labeling): Used as a stable isotope-labeled internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) for accurate quantification and metabolic pathway tracing in bioanalytical research.
• Agrochemical Research: Serves as a specialized intermediate in the synthesis of novel herbicides, fungicides, or insecticides where the deuterium substitution can influence biological activity and environmental persistence.
• Material Science Precursor: Potential use in the synthesis of advanced organic materials, such as ligands for catalysts or components for organic electronics, where the pyrazole core offers specific coordination or electronic properties.
• Chemical Biology Probe: Employed in the design of chemical probes for studying enzyme mechanisms or protein-ligand interactions, leveraging the deuterium kinetic isotope effect (DKIE).

Basic Information

Product Name	1H-Pyrazole, 4-[2-(Methoxy-D3)Ethyl]-3,5-Dimethyl- (9Ci)
CAS No.	104939-43-7
Molecular Formula	C8H12D3NO
Molecular Weight	141.22 g/mol (approx.)
Synonyms	4-(2-Methoxy-d3-ethyl)-3,5-dimethyl-1H-pyrazole; 3,5-Dimethyl-4-[2-(methoxy-D3)ethyl]-1H-pyrazole; Deuterated 4-(2-Methoxyethyl)-3,5-dimethylpyrazole; 1H-Pyrazole-4-ethanol, 3,5-dimethyl-, 2-(methyl-d3) ether; 4-(2-(Methoxy-D3)ethyl)-3,5-dimethylpyrazole; CAS 104939-43-7
EINECS	Contact for details

Quality Control

Our deuterated chemical products undergo rigorous quality testing to ensure high isotopic purity and chemical integrity, meeting the stringent requirements of research and development. Each batch is characterized by advanced analytical techniques including NMR (¹H, ²H, ¹³C) and High-Resolution Mass Spectrometry (HRMS). Certificates of Analysis (COA) detailing purity, isotopic enrichment (D%), and impurity profiles are available upon request to support your regulatory and research documentation.

Storage

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

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Isotopic Purity (D%)	≥ 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.