159706-87-3

Basic information

• Product Name: (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone
• Synonyms: (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone;(3S)-3-(4-Fluorophenyl)-4-(phenylmethyl)-2-morpholinone;N-Benzyl-(3S)-3-(4-fluorophenyl)morpholin-2-one;(S)-4-Benzyl-3-(4-fluorophenyl)Morpholin-2-one
• CAS NO: 159706-87-3
• Molecular Formula: C₁₇H₁₆FNO₂
• Molecular Weight: 285.3128
• Mol File: 159706-87-3.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 431.9 °C at 760 mmHg
• Flash Point: 215 °C
• Appearance: /
• Density: 1.231
• Vapor Pressure: 1.16E-07mmHg at 25°C
• Refractive Index: 1.582
• Storage Temp.: 2-8°C
• PKA: 4.26±0.40(Predicted)
• CAS DataBase Reference: (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone(159706-87-3)
• EPA Substance Registry System: (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone(159706-87-3)

Safety Data

• Hazardous Substances Data: 159706-87-3(Hazardous Substances Data)

Usage

General Description

(S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone is a chemical compound with potential pharmaceutical applications. It belongs to the class of morpholinone derivatives and is characterized by a fluorophenyl group, a benzyl group, and a morpholinone ring structure. (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone has been studied for its potential as an anticonvulsant and analgesic agent, with promising results in preclinical trials. It has also shown potential as a modulator of opioid receptors, suggesting possible applications in the treatment of pain and addiction. Further research is needed to fully elucidate the pharmacological properties and potential therapeutic uses of (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone.

InChI:InChI=1/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1

Upstream product

• 5453-99-6 4-benzyl-morpholin-2-one 
• 352-34-1 4-fluoro-1-iodobenzene 
• 1224387-68-1 (2-methoxy-2-oxo-(S)-1-phenylethyl) α-bromo(p-fluorophenyl)acetate 
• 104-63-2 N-Benzylethanolamine 
• 271583-38-1 2-(N-benzyl)amino-2-(4-fluorophenyl)acetamide 
• 200000-54-0 N-benzyl-4-fluorophenylglycine 
• 100-46-9 benzylamine 
• 459-57-4 4-fluorobenzaldehyde 
• 220130-49-4 [(diphenylmethyl)amino](4-fluorophenyl)acetonitrile 
• 187876-68-2 3-(S)-(4-Fluorophenyl)-4-benzyl-2-morpholinone 
• 100-39-0 benzyl bromide 

Downstream Products

• 1296765-17-7 C₁₇H₁₈FNO₂ 
• 170729-77-8 (2R,3S)-4-benzyl-2-({1-[3,5-bis(trifluoromethyl)phenyl]-vinyl}oxy)-3-(4-fluorophenyl)morpholine 
• 472968-65-3 C₂₁H₂₉FN₃O₃P 
• 472968-64-2 Carbonic acid (2S,3S)-4-benzyl-3-(4-fluoro-phenyl)-morpholin-2-yl ester isopropyl ester 
• 472968-63-1 Dimethyl-carbamic acid (2S,3S)-4-benzyl-3-(4-fluoro-phenyl)-morpholin-2-yl ester 
• 1027926-21-1 Methanesulfonic acid (2S,3S)-4-benzyl-3-(4-fluoro-phenyl)-morpholin-2-yl ester 
• 195605-26-6 (5S,10S)-9-Benzyl-10-(4-fluoro-phenyl)-3-[2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-phenyl]-1,6-dioxa-9-aza-spiro[4.5]dec-3-ene 
• 195605-08-4 (3S,5S,10S)-10-(4-Fluoro-phenyl)-3-[2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-phenyl]-1,6-dioxa-9-aza-spiro[4.5]decane 

Relevant articles and documents

Chiral synthesis method of aprepitant intermediate and intermediate thereof (by machine translation)

The invention discloses a chiral synthesis method of aprepitant intermediate and a synthesis method of the, aprepitant intermediate, wherein the (2) synthesis method (3) comprises the following, shown in the following reaction formula: (1) the compound; I

Dynamic kinetic resolution of (S)-mandelate-derived a-bromo esters in nucleophilic substitution and asymmetric syntheses of 3-substituted morpholin-2-ones

Dynamic kinetic resolution of (S)-mandelate-derived α-bromo esters in nucleophilic substitution reaction has been investigated. Substitutions with various alkyl amine nucleophiles in the presence of TBAI and DIEA can provide various α-amino esters up to 81% yield and 97:3 dr. Also, the substitution of α-bromo esters with N-substituted 2-aminoethanol nucleophiles and following spontaneous cyclization provides a practical protocol for asymmetric syntheses of 3-substituted morpholin-2-ones up to 95:5 er. ARKAT USA, Inc.

PROCESS FOR PREPARATION OF APREPITANT

The present invention relates to a highly pure (2R,3S)-4-benzyl-3-(4- fluorophenyl)morpholin-2-yl 3,5-bis(trifluoromethyl)benzoate of Formula II, and a process for its preparation. The present invention further provides a process for preparation of Aprepitant of Formula I or pharmaceutically acceptable salt thereof, using the highly pure compound of Formula II. The present invention also provides a process for preparation of Aprepitant of Formula I or pharmaceutically acceptable salt thereof which comprises of cyclising the compound of Formula VII at elevated temperature, in the absence of solvent.