Description

4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-Propenyl)-1-Piperazinyl]Phenylmethyl]-N,n-Diethylbenzamide is a high-purity, stereochemically defined piperazine derivative with significant value as a pharmaceutical intermediate. Its complex chiral structure makes it a critical building block for the synthesis of advanced active pharmaceutical ingredients (APIs), particularly in therapeutic areas requiring high specificity. This compound is essential for research institutions and manufacturers engaged in the development of novel small-molecule drugs, where precise chemical architecture is paramount for biological activity and regulatory approval.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the multi-step synthesis of proprietary drug candidates, especially in central nervous system (CNS) and oncology research.
• Active Pharmaceutical Ingredient (API) Development: Serves as a core structural component for constructing novel therapeutic molecules with targeted receptor binding.
• Chemical Research & Process Development: Used in academic and industrial R&D for method development, route scouting, and scale-up studies for complex organic molecules.
• Asymmetric Synthesis: Leverages its defined stereocenters to induce chirality in downstream reactions, crucial for producing enantiomerically pure compounds.
• Reference Standard: Employed as a high-purity analytical standard for quality control and regulatory filing (e.g., FDA, EMA) of related drug substances.

Basic Information

Product Name	4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-Propenyl)-1-Piperazinyl]Phenylmethyl]-N,n-Diethylbenzamide
CAS No.	178803-51-5
Molecular Formula	C27H37N3O
Molecular Weight	419.60 g/mol
Synonyms	N,N-Diethyl-4-[(S)-[(2S,5R)-2,5-dimethyl-4-(prop-2-en-1-yl)piperazin-1-yl](phenyl)methyl]benzamide; 4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide; (S)-N,N-Diethyl-4-((2S,5R)-2,5-dimethyl-4-(prop-2-en-1-yl)piperazin-1-yl)(phenyl)methyl)benzamide; Aprepitant Intermediate Derivative; Benzamide, 4-[(S)-[(2S,5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl]phenylmethyl]-N,N-diethyl-
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency for critical R&D and scale-up work. Quality is verified through comprehensive analytical techniques including HPLC, GC, and NMR. A Certificate of Analysis (COA) detailing identity, purity (typically >97% by HPLC), chiral purity, and impurity profiles is provided with each shipment. We support regulatory submissions with GMP-grade documentation and stability data upon request.

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 compound is moisture-sensitive; keep the original container tightly sealed under an inert atmosphere if necessary for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.