Description

1-[2-(2,3-Dihydro-5-Benzofuranyl)Ethyl-D4]-α,α-Diphenyl-3-Pyrrolidineacetonitrile is a high-purity, deuterium-labeled chemical compound designed for advanced research and development applications. This deuterated analog is critical for enhancing the sensitivity and reliability of analytical methods, particularly in pharmacokinetic and metabolic studies. It serves as a vital reference standard and intermediate for pharmaceutical, agrochemical, and academic laboratories requiring precise isotopic labeling for trace analysis.

Application

• Pharmaceutical Reference Standard: Used as an internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas Chromatography-Mass Spectrometry (GC-MS) for the accurate quantification of its non-deuterated counterpart in biological matrices.
• Metabolic Pathway Tracing: Employed in drug metabolism and pharmacokinetics (DMPK) studies to track and elucidate metabolic pathways and bioavailability.
• Isotope Dilution Mass Spectrometry (IDMS): A key component in high-precision analytical techniques for achieving superior accuracy in quantitative analysis.
• Chemical Synthesis Intermediate: Serves as a specialized building block for synthesizing novel deuterium-labeled compounds for research purposes.
• Proteomics & Biomarker Research: Facilitates relative and absolute quantification in complex proteomic studies and biomarker validation.

Basic Information

Product Name	1-[2-(2,3-Dihydro-5-Benzofuranyl)Ethyl-D4]-α,α-Diphenyl-3-Pyrrolidineacetonitrile
CAS No.	1216586-32-1
Molecular Formula	C28H26D4N2O
Molecular Weight	406.58 g/mol
Synonyms	1-[2-(2,3-Dihydro-5-benzofuranyl)ethyl-1,1,2,2-d4]-α,α-diphenyl-3-pyrrolidineacetonitrile; 1-[2-(2,3-Dihydrobenzofuran-5-yl)ethyl-d4]-α,α-diphenyl-3-pyrrolidineacetonitrile; Deuterated DPP-4 inhibitor intermediate; (S)-1-(2-(2,3-Dihydrobenzo[b]furan-5-yl)ethyl-d4)-2,2-diphenylpyrrolidine-3-acetonitrile; D4-labeled sitagliptin analog; D4-labeled anagliptin intermediate; Pyrrolidineacetonitrile, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl-d4]-α,α-diphenyl-
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured under strict quality systems to ensure batch-to-batch consistency and high isotopic purity. Each batch is accompanied by a comprehensive Certificate of Analysis (COA) detailing parameters such as chemical purity (by HPLC), isotopic enrichment (by MS), and structural confirmation (by NMR and IR). We support compliance with cGMP guidelines for research use and can provide custom QC packages to meet specific project requirements.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. For long-term storage, consider storing under inert atmosphere at -20°C to maximize stability.

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 (MS)	≥ 98.0 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.