Description

4-[4-[4-(Diphenylmethoxy-D5)-1-Piperidinyl]-1-Butyne]-α,α-Dimethyl-Benzeneacetic Acid Methyl Ester is a high-purity, deuterated chemical intermediate of significant importance in advanced pharmaceutical research and development. This compound is specifically valued for its role in the synthesis of deuterated drug candidates, where the incorporation of deuterium (D5) can enhance metabolic stability and improve pharmacokinetic profiles. It is primarily sought after by pharmaceutical companies, contract research organizations (CROs), and academic institutions engaged in cutting-edge medicinal chemistry, particularly for developing novel therapeutics in areas such as immunology and central nervous system (CNS) disorders.

Application

• Deuterated Active Pharmaceutical Ingredient (API) Synthesis: A critical building block for creating deuterium-labeled versions of pharmaceutical compounds to study metabolic pathways and improve drug efficacy.
• Metabolic Stability Studies: Used in preclinical research to investigate the impact of deuterium substitution on the absorption, distribution, metabolism, and excretion (ADME) properties of lead molecules.
• Isotope-Labeled Reference Standard Production: Serves as a precursor for manufacturing high-purity internal standards used in quantitative bioanalytical methods like LC-MS/MS.
• Medicinal Chemistry & Lead Optimization: Enables medicinal chemists to explore structure-activity relationships (SAR) by introducing deuterium at specific molecular sites to fine-tune drug properties.
• Proprietary Drug Development Programs: Employed in confidential R&D projects aimed at developing novel, patent-protected deuterated therapeutics with potential improved safety and efficacy profiles.

Basic Information

Product Name	4-[4-[4-(Diphenylmethoxy-D5)-1-Piperidinyl]-1-Butyne]-α,α-Dimethyl-Benzeneacetic Acid Methyl Ester
CAS No.	1216447-65-2
Molecular Formula	C33H33D5NO3
Molecular Weight	507.70 g/mol (for deuterated form)
Synonyms	Methyl 2-(4-((4-(4-(Diphenylmethoxy-D5)piperidin-1-yl)but-1-yn-1-yl)phenyl)-2-methylpropanoate; Deutetrabenazine Impurity; Deuterated Piperidine Derivative; (4-(4-(4-(Bis(phenyl-d5)methoxy)piperidin-1-yl)but-1-yn-1-yl)-α,α-dimethylphenyl)acetic acid methyl ester; Tetrabenazine Related Compound D5; D5-Labelled Benzeneacetic Acid Ester; Valbenazine Intermediate D5; Contact for additional synonyms.
EINECS	Contact for details

Quality Control

Our 4-[4-[4-(Diphenylmethoxy-D5)-1-Piperidinyl]-1-Butyne]-α,α-Dimethyl-Benzeneacetic Acid Methyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR (¹H and ¹³C), and Mass Spectrometry, to confirm identity, chemical purity, and isotopic enrichment (D5). We provide comprehensive Certificates of Analysis (COA) detailing all specifications, ensuring traceability and compliance with the stringent requirements of pharmaceutical R&D. Custom synthesis and purification to meet specific client purity grades (e.g., >98%, >99%) are available.

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 compound is hygroscopic (moisture-sensitive); therefore, the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider using desiccants or storing under an inert atmosphere such as argon or nitrogen.

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 (D5, MS)	≥ 95 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.