[2R-[2aR*),3a]-2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

Base Information

• Chemical Name: [2R-[2aR*),3a]-2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
• CAS No.: 170729-79-0
• Molecular Formula: C20H18F7NO2
• Molecular Weight: 437.35
• Mol file: 170729-79-0.mol

Synonyms:2R-[2α(S*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl];[2R-[2aR*),3a]-2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine;

Chemical Property of [2R-[2aR*),3a]-2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

Chemical Property:

• Vapor Pressure: 3.2E-06mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 387.9 °C at 760 mmHg
• PKA: 6.93±0.60(Predicted)
• Flash Point: 188.4 °C
• PSA: 30.49000
• Density: 1.37 g/cm³
• LogP: 5.95690

Purity/Quality:

99% ^*data from raw suppliers

2-(R)-[1-(S)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A metabolite of Aprepitant. A metabolite of Aprepitant

Technology Process of [2R-[2aR*),3a]-2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

There total 2 articles about [2R-[2aR*),3a]-2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C20H16F7NO2 (1242175-37-6) → (2R,3R)-2-[(1S)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine (170729-79-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 5 ℃;

DOI:10.1080/00397910903221084

Reference yield:

→ (2R,3R)-2-[(1S)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine (170729-79-0)

Guidance literature:

Reference yield: 98.0%

(2R,3R)-2-[(1S)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine (170729-79-0) + 3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one (252742-72-6) → C23H21F7N4O3 (170902-81-5,221350-96-5)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 0 ℃;

DOI:10.1080/00397910903221084

upstream raw materials:

C₂₀H₁₆F₇NO₂

Downstream raw materials:

C₂₃H₂₁F₇N₄O₃

Refernces

• 1、 -. "MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS". . . Retrieved 2008/06/13.
• 2、 -. "PROCESS FOR PREPARING MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS". . . Retrieved 2008/06/13.