Description

[2-Methyl-3-(2,3,4,5,6-Pentadeuteriophenyl)Phenyl]Methanol CAS NO 1329835-20-2 is a deuterated aromatic alcohol derivative, serving as a critical stable isotope-labeled building block for advanced research and development. This compound is essential for creating deuterated analogs of pharmaceuticals and organic materials, enabling precise metabolic, pharmacokinetic, and mechanistic studies. It is primarily utilized by pharmaceutical R&D laboratories, agrochemical innovators, and advanced material scientists requiring high-fidelity isotopic labeling.

Application

• Pharmaceutical Research: As a deuterated synthon for the preparation of isotopically labeled drug candidates in Drug Metabolism and Pharmacokinetics (DMPK) studies and bioanalytical method development.
• Metabolic Pathway Tracing: Employed in mass spectrometry-based assays to track metabolic pathways and identify metabolites with high specificity and reduced background interference.
• Agrochemical Development: Used in the synthesis of deuterated pesticides or herbicides to study environmental fate, degradation pathways, and residue analysis.
• Organic Electronics & Material Science: Acts as a precursor for deuterated organic semiconductors or liquid crystals, where isotopic substitution can modify electronic properties and enhance stability.
• NMR Spectroscopy: Serves as an internal standard or a probe molecule in Nuclear Magnetic Resonance (NMR) spectroscopy due to its distinct spectral signature.
• Chemical Mechanism Elucidation: Utilized in kinetic isotope effect (KIE) studies to investigate reaction mechanisms and transition states in organic synthesis.

Basic Information

Product Name	[2-Methyl-3-(2,3,4,5,6-Pentadeuteriophenyl)Phenyl]Methanol
CAS No.	1329835-20-2
Molecular Formula	C14H9D5O
Molecular Weight	201.28 g/mol (for C14H9D5O)
Synonyms	(2-Methyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl)methanol; 2-Methyl-3-(pentadeuteriophenyl)benzyl alcohol; [2-Methyl-3-(phenyl-d5)phenyl]methanol; Deuterated Benzyl Alcohol Derivative; (3-(2,3,4,5,6-Pentadeuteriophenyl)-2-methylphenyl)methanol; d5-[2-Methyl-3-phenylphenyl]methanol; CAS 1329835-20-2
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced and controlled under a strict quality management system. Each batch undergoes comprehensive analytical testing, including NMR (¹H, ²H, ¹³C), HPLC, and mass spectrometry, to confirm chemical identity, isotopic purity (D-enrichment ≥ 98 atom % D typical), and chemical purity. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The product is light-sensitive and should be handled under inert atmosphere when appropriate for prolonged use to maintain isotopic integrity.

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 (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.