171482-05-6

Basic information

• Product Name: (2R,3S)-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE
• Synonyms: (2R,3S)-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE;(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)Morpholine hydrochloride (1:1);APREPITANT INTERMEDIATES;Aprepitant HCl;(2R,3S)-2-((R)-1-(3,5-Bis(trifluoroMethyl)phenyl)ethoxy)-3-(4-fluorophenyl)Morpholine hydrochloride;(2R, 3S)-2-(1R)-1-(3, 5-BIS (TRIFLUOROMETHYL)-3-(4-FLUOROPHENYL) MORPHOLINE HYDROCHLORIDE;(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine hydrochlor;Morpholine, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, hydrochloride (1:1), (2R,3S)-
• CAS NO: 171482-05-6
• Molecular Formula: C20H18F7NO2.HCl
• Molecular Weight: 473.82
• EINECS: 1308068-626-2
• Mol File: 171482-05-6.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 387.9 °C at 760 mmHg
• Flash Point: 188.4 °C
• Appearance: /
• Storage Temp.: Inert atmosphere,Room Temperature
• CAS DataBase Reference: (2R,3S)-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: (2R,3S)-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE(171482-05-6)
• EPA Substance Registry System: (2R,3S)-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE(171482-05-6)

Safety Data

• Hazardous Substances Data: 171482-05-6(Hazardous Substances Data)

Usage

General Description

(2R,3S)-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE is a chemical compound that is a morpholine derivative. It contains a morpholine ring with an (2R,3S) configuration and a hydrochloride salt. The compound also has a (1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY group and a 4-FLUOROPHENYL group attached to the morpholine ring. This chemical may have potential applications in pharmaceuticals or research due to its specific chemical structure and properties. Its precise uses and effects would depend on the specific context and intended purpose of its usage.

Upstream product

• 403-42-9 1-(4-fluorophenyl)ethanone 
• 447-43-8 1-(4-fluorophenyl)-2,2-dihydroxyethan-1-one 
• 30071-93-3 3,5-bis(trifluoromethyl)phenyl methyl ketone 
• 472968-68-6 (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]-2-morpholinol 
• 225920-05-8 (S)-3,5-bis(trifluoromethyl)-1-phenylethanol 
• 472968-69-7 2,2,2-Trichloro-acetimidic acid (2R,3R)-3-(4-fluoro-phenyl)-4-((R)-1-phenyl-ethyl)-morpholin-2-yl ester 
• 352-13-6 4-flourophenylmagnesium bromide 
• 368-63-8 (R)-[3,5-bis(trifluoromethyl)phenyl]ethanol 
• 327623-36-9 (2S,2αR)-4-benzyl-2-[1-[3,5-bis(trifluoromethyl)phenyl]]ethoxy-morpholin-3-one 
• 287930-75-0 (2R,2αR)-4-benzyl-2-[1-[3,5-bis(trifluoromethyl)phenyl]]ethoxy-morpholin-3-one 
• 472968-70-0 (2R,3R)-2-[(R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-(4-fluoro-phenyl)-4-((R)-1-phenyl-ethyl)-morpholine 
• 171338-27-5 [2R-[2α(R*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 
• 460-00-4 1-Bromo-4-fluorobenzene 
• 502536-97-2 2,2,2-trichloro-acetimidic acid 4-benzyl-3-oxo-morpholin-2-yl ester 

Downstream Products

• 265121-01-5 [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phosphonic acid bis(phenylmethyl)ester 
• 219821-37-1 2-[2-[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]-1-iminoethyl]hydrazinecarboxylic acid methyl ester 
• 1349902-81-3 C₂₇H₃₁F₇N₄O₄ 

Relevant articles and documents

Preparation method of aprepitant key intermediate

The invention provides a preparation method of an aprepitant key intermediate, which comprises the following steps: S1) carrying out a Grignard reaction on (2R)-4-benzyl-2-[(1R)-1-[3, 5-bis(trifluoromethyl) phenyl] ethyoxyl] morpholine-3-ketone and 4-fluo

Preparation methods of aprepitant impurity

The invention discloses preparation methods of an aprepitant impurity, which comprise isomer impurity synthesis method of six aprepitant key intermediates (2R, 3S)-2-[(1R)-1-[3, 5-bis (trifluoromethyl)-phenyl] ethoxy]-3-(4-fluorophenyl) morpholine, respectively, synthesis of four diastereomer impurities, synthesis of one enantiomer impurity and synthesis of one by-product impurity. The methods have the beneficial effects that the five synthesis methods are simple and feasible, the raw materials are easy to obtain, the conditions are mild, the cost is low, the production is facilitated, and meanwhile, the isomer impurities of the synthesized aprepitant key intermediate provide a new intermediate raw material for the preparation of aprepitant.

High-purity aprepitant preparation method

The invention discloses a high-purity aprepitant preparation method, which specifically comprises: 1, carrying out a reaction on (R)-4-benzyl-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholine-3-one, tetrahydrofuran and 4-fluorophenyl magnesium bromide, carrying out a reaction on the reaction solution, a toluenesulfonic acid monohydrate and a catalyst, leaching with methanol, adding othersubstances, and adding hydrochloric acid, 4-methyl-2-pentanone, ethanol and n-heptane into the organic layer of the product to obtain (2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorobenzene)morpholine hydrochloride; and 2, dissolving the product obtained in the step 1 in an alcohol solvent and a reverse solvent, heating until the solution is clear, cooling, and crystallizing toobtain the finished product. According to the invention, the preparation method is easy to control, the purity of the prepared (2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorobenzene) morpholine hydrochloride can reach more than 99.5%, the defluorination impurity content is lower than 0.05%, and the purity of the prepared finished product can reach more than 99.9%.