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

• 30071-93-3 3,5-bis(trifluoromethyl)phenyl methyl ketone 
• 110843-90-8 4-benzyl-morpholine-2,3-dione 
• 104-63-2 N-Benzylethanolamine 
• 171338-27-5 [2R-[2α(R*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 
• 472968-68-6 (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]-2-morpholinol 
• 447-43-8 1-(4-fluorophenyl)-2,2-dihydroxyethan-1-one 
• 403-42-9 1-(4-fluorophenyl)ethanone 
• 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 
• 472968-70-0 (2R,3R)-2-[(R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-(4-fluoro-phenyl)-4-((R)-1-phenyl-ethyl)-morpholine 
• 287930-75-0 (2R,2αR)-4-benzyl-2-[1-[3,5-bis(trifluoromethyl)phenyl]]ethoxy-morpholin-3-one 

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 method of aprepitant intermediate

The invention provides a preparation method of an aprepitant intermediate, and belongs to the technical field of chemical synthesis. According to the invention, (2R)-2-[(1R)-1-[3, 5-bis (trifluoromethyl) phenyl] ethyoxyl]-3-bromomorpholine is subjected to Suzuki coupling reaction to obtain (2R, 3S)-2-[(1R)-1-[3, 5-bis (trifluoromethyl) phenyl] ethyoxyl]-3-(4- fluorophenyl) morpholine; reacting (2R, 3S)-2-[(1R)-1-[3, 5-bis (trifluoromethyl) phenyl] ethyoxyl]-3-(4- fluorophenyl) morpholine with hydrochloric acid to obtain the aprepitant intermediate (2R, 3S)-2-[(1R)-1-[3, 5-bis (trifluoromethyl) phenyl] ethoxy]-3-(4-fluorophenyl) morpholine hydrochloride. In the preparation process, environmental humidity and oxygen content do not need to be controlled, hydrogenation is not needed, operation is safer, simpler and more convenient, industrial scale-up production is easy, few byproducts are produced in the reaction process, and the purity of aprepitant prepared from the obtained key intermediate I is higher.

Intermediates for preparing aprepitant, and preparation method and application thereof

The invention belongs to the technical field of compounds and synthesis thereof, and provides intermediates for preparing aprepitant, and a preparation method and an application thereof. The inventionprovides the aprepitant preparation intermediate represented by formula I and the aprepitant preparation intermediate represented by formula II. The aprepitant is prepared from the two intermediatesthrough condensation and reduction reactions. Compared with existing methods for preparing aprepitant, the method of the invention has the advantages of avoiding of the disadvantages of complex reaction process, multiple transition states and multiple byproducts in the intermediate preparation process and the disadvantage of complex quality control, simple synthesis process of aprepitant, enhancement of the safety and process controllability of industrial production, high yield, no pollution, easily available raw materials, simplicity in industrial operation, low energy consumption, low cost,safety and environment friendliness, and is suitable for industrial application.