Description

(S)-3-Boc-Amino-4-Phenyl-D5-1-Butene is a high-purity, deuterium-labeled chiral building block of significant importance in advanced pharmaceutical research and development. This compound is specifically designed for use in drug discovery programs, particularly in the creation of novel Active Pharmaceutical Ingredients (APIs) where isotopic labeling is required. It is an essential intermediate for medicinal chemists and process development scientists working in pharmaceutical R&D, contract research organizations (CROs), and isotope chemistry.

Application

• Deuterated Active Pharmaceutical Ingredient (API) Synthesis: A key chiral intermediate for the preparation of deuterium-labeled drug candidates, leveraging the kinetic isotope effect for improved metabolic stability and pharmacokinetics.
• Metabolic and Pharmacokinetic (DMPK) Studies: Used as a stable isotope-labeled internal standard in LC-MS/MS analysis for accurate quantification of parent compounds and metabolites in biological matrices.
• Mechanism of Action (MOA) Research: Employed in tracer studies to elucidate biochemical pathways and drug-target interactions within biological systems.
• Process Chemistry Development: Serves as a critical building block for scaling up the synthesis of complex, isotopically labeled molecules under Good Manufacturing Practice (GMP) conditions.
• Proteomics and Biomarker Discovery: Can be utilized in chemical proteomics for target identification and validation studies.

Basic Information

Product Name	(S)-3-Boc-Amino-4-Phenyl-D5-1-Butene
CAS No.	1217607-65-2
Molecular Formula	C15H16D5NO2
Molecular Weight	250.38 g/mol
Synonyms	(S)-tert-Butyl (1-(2,2,3,3,3-pentadeuterio-1-phenylpropyl)allyl)carbamate; (S)-3-((tert-Butoxycarbonyl)amino)-4-phenyl-1-butene-1,1,2,3,3-d5; (S)-N-Boc-4-Phenyl-D5-3-aminobut-1-ene; Boc-L-Phenylalanine-D5 allyl ester derivative; Deuterated Boc-Phe-allyl ester; (S)-3-(Boc-amino)-4-phenylpentadeuterobut-1-ene
EINECS	Contact for details

Quality Control

Our (S)-3-Boc-Amino-4-Phenyl-D5-1-Butene is manufactured under strict quality control protocols to ensure the high chemical and isotopic purity required for sensitive research applications. Each batch is characterized by advanced analytical techniques including NMR (1H, 13C), HPLC, and mass spectrometry to confirm identity, chiral purity, and deuterium incorporation. 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). Due to its hygroscopic nature, the container should be kept in a desiccated environment. For long-term storage, consider 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)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Deuterium Incorporation (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.