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2-(R)-[1-(S)-(3,5-Bis(Trifluoromethyl)Phenyl)Ethoxy]-3-(S)-Fluorophenylmorpholine-D2 CAS NO 1217725-13-7
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CAS No.:1217725-13-7
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2-(R)-[1-(S)-(3,5-Bis(Trifluoromethyl)Phenyl)Ethoxy]-3-(S)-Fluorophenylmorpholine-D2 is a high-purity, deuterated chiral intermediate of significant importance in advanced pharmaceutical research and development. This compound matters for its role as a critical building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly those targeting the central nervous system. Pharmaceutical companies and advanced contract research organizations (CROs) need it for drug discovery programs, process chemistry optimization, and the development of deuterated drug candidates where improved metabolic stability and pharmacokinetic profiles are desired.
Application
- Pharmaceutical Intermediate: A key chiral synthon in the multi-step synthesis of complex drug molecules, especially neurokinin-1 (NK1) receptor antagonists.
- Deuterated Drug Development: Serves as a precursor for creating deuterium-labeled pharmaceutical compounds, leveraging the deuterium isotope effect to potentially enhance metabolic stability, reduce toxicity, and extend patent life.
- Process Chemistry & Scale-Up: Used in route scouting and optimization during the transition from laboratory-scale discovery to pilot and commercial manufacturing.
- Reference Standard: Employed as an analytical standard for quality control and method validation in API manufacturing to ensure batch consistency and regulatory compliance.
- Medicinal Chemistry Research: Facilitates structure-activity relationship (SAR) studies by providing a specific, stereochemically defined molecular scaffold for analog generation.
- Isotope Labeling Studies: Used in metabolic and pharmacokinetic research to trace the fate of molecules in biological systems using techniques like mass spectrometry.
Basic Information
| Item | Detail |
|---|---|
| Product Name | 2-(R)-[1-(S)-(3,5-Bis(Trifluoromethyl)Phenyl)Ethoxy]-3-(S)-Fluorophenylmorpholine-D2 |
| CAS No. | 1217725-13-7 |
| Molecular Formula | C20H17D2F7NO2 |
| Molecular Weight | 419.36 g/mol |
| Synonyms | (2R,3S)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine-2,2-d2; (2R,3S)-2-[(1S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine-2,2-d2; Aprepitant Intermediate D2; Deuterated Aprepitant Chiral Intermediate; 2,2-Dideutero-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-[(2R,3S)-morpholine]; L-754030 Intermediate D2; NK1 Receptor Antagonist Intermediate D2 |
| EINECS | Contact for details |
Quality Control
Our 2-(R)-[1-(S)-(3,5-Bis(Trifluoromethyl)Phenyl)Ethoxy]-3-(S)-Fluorophenylmorpholine-D2 is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure high chiral purity, chemical identity, and isotopic enrichment. Specifications are aligned with the stringent requirements for pharmaceutical intermediates. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing results for assay, enantiomeric excess, deuterium incorporation, and impurity profiles. Our quality commitment supports compliance with cGMP and ICH guidelines for drug substance development.
Storage
Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when opening the container to prevent degradation. Keep away from incompatible materials such as strong bases.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (HPLC) | Retention time matches reference standard |
| Assay (HPLC) | ≥ 98.0% |
| Enantiomeric Excess (Chiral HPLC) | ≥ 99.0% |
| Deuterium Incorporation (MS) | ≥ 98 atom % D |
| Water Content (KF) | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Related Substances (HPLC) | Total impurities ≤ 1.0%; Any single unknown impurity ≤ 0.5% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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