Description

2-[(5,6,7,8-Tetradeuterio-2,3-Dihydro-1,4-Benzodioxin-3-Yl)Methyl]Guanidine is a deuterated analog of a key guanidine derivative, offering enhanced metabolic stability and traceability for advanced research applications. This high-purity compound is critical for pharmaceutical and agrochemical development, where precise isotopic labeling is required for pharmacokinetic (PK) and metabolism studies. It is primarily utilized by R&D scientists and process chemists in the life sciences sector for the synthesis of deuterated drug candidates and as a stable isotope-labeled internal standard in analytical methods.

Application

• Deuterated Pharmaceutical Intermediate: Serves as a key building block for synthesizing deuterium-labeled drug molecules with improved metabolic profiles.
• Metabolic Tracer & Internal Standard: Used in mass spectrometry (LC-MS, GC-MS) as a stable isotope-labeled standard for accurate quantification and metabolite identification in bioanalytical studies.
• Agrochemical Research: Employed in the development of novel, isotopically labeled pesticides and herbicides for environmental fate and metabolism studies.
• Medicinal Chemistry & Lead Optimization: Facilitates Structure-Activity Relationship (SAR) studies by probing the deuterium isotope effect on biological activity and toxicity.
• Chemical Biology Probes: Utilized in the design of labeled probes for investigating biochemical pathways and protein-ligand interactions.
• Process Chemistry & Scale-up: Supports the development and validation of scalable synthetic routes for deuterated active pharmaceutical ingredients (APIs).

Basic Information

Product Name	2-[(5,6,7,8-Tetradeuterio-2,3-Dihydro-1,4-Benzodioxin-3-Yl)Methyl]Guanidine
CAS No.	1794783-67-7
Molecular Formula	C10H9D4N3O2
Molecular Weight	211.24 g/mol
Synonyms	2-[(5,6,7,8-Tetradeutero-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]guanidine; 2-[(Tetradeuterated-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]guanidine; d4-2-[(2,3-Dihydro-1,4-benzodioxin-3-yl)methyl]guanidine; Guanidine, N-[(5,6,7,8-tetradeuterio-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-; Deuterated Guanidine Derivative; 1,4-Benzodioxane-2-methanamine, 5,6,7,8-tetradeuterio-N-(diaminomethylene)-; 1794783-67-7
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured under strict quality control protocols to ensure batch-to-batch consistency and high isotopic purity. Each lot is characterized by advanced analytical techniques including NMR (¹H, ¹³C, ²H), HPLC, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing purity, isotopic enrichment (D-content), and impurity profile is provided with every shipment to support your regulatory and research documentation needs.

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 material is hygroscopic (moisture-sensitive) and should be handled under dry, inert conditions to maintain stability and purity. Keep the container tightly sealed when not in use.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (²H NMR / MS)	≥ 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.