Description

Propyl4-((2-((4,6-Dimethoxypyrimidin-2-yl)oxy)benzyl)amino)[3,5-2H]benzoate is a deuterated chemical compound of significant interest in advanced research and development. This deuterium-labeled analog is specifically designed to enhance metabolic stability and pharmacokinetic profiling in drug discovery studies. It serves as a critical intermediate for pharmaceutical chemists and agrochemical researchers developing novel active ingredients. The compound's unique structure makes it valuable for applications requiring isotopic labeling for mechanistic and analytical studies.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of deuterated drug candidates for improved metabolic stability and extended half-life.
• Agrochemical Research: Used in the development of novel, labeled herbicides and plant growth regulators for mode-of-action and environmental fate studies.
• Metabolic Pathway Tracing: Acts as a stable isotope-labeled tracer in mass spectrometry-based studies to investigate biochemical pathways.
• Analytical Reference Standard: Serves as a high-purity internal standard for quantitative analysis (LC-MS, GC-MS) in bioanalytical and environmental testing.
• Medicinal Chemistry: Enables structure-activity relationship (SAR) studies by probing the effects of deuteration on biological activity.
• Isotope Effect Studies: Fundamental research tool for chemists studying kinetic isotope effects in chemical and enzymatic reactions.

Basic Information

Product Name	Propyl4-((2-((4,6-Dimethoxypyrimidin-2-yl)oxy)benzyl)amino)[3,5-2H]benzoate
CAS No.	948994-16-9
Molecular Formula	C23H24D2N2O5
Molecular Weight	412.48 g/mol (approx.)
Synonyms	Propyl 4-((2-((4,6-dimethoxypyrimidin-2-yl)oxy)benzyl)amino)[3,5-2H2]benzoate; [3,5-2H]Benzoic acid, 4-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methyl]amino]-, propyl ester; Deuterated Pyrimidinyloxybenzylaminobenzoate; Propyl 4-((2-((4,6-Dimethoxy-2-pyrimidinyl)oxy)benzyl)amino)-3,5-dideuterobenzoate; 948994-16-9; CAS 948994-16-9
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured 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), mass spectrometry, and HPLC. We provide comprehensive Certificates of Analysis (COA) detailing chemical purity, isotopic enrichment (D%), and impurity profiles, supporting compliance with research and development standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); ensure the container is sealed under inert atmosphere after opening to prevent degradation from moisture uptake.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Isotopic Purity (D%)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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