(2S,3R)-2-((S)-1-(3,5-bis(trifluoroMethyl)phenyl)ethoxy)-3-(4-fluorophenyl)Morpholine

Base Information

Chemical Name:(2S,3R)-2-((S)-1-(3,5-bis(trifluoroMethyl)phenyl)ethoxy)-3-(4-fluorophenyl)Morpholine
CAS No.:327623-37-0
Molecular Formula:C20H18F7NO2
Molecular Weight:437.35
Hs Code.:
Mol file:327623-37-0.mol

Synonyms:QC-634;(2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine;(2S,3R)-2-[(1S)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine;2s,3r------s;(2R,3S)-2-{(1R)-1-[3,5-bis-trifluoromethylphenyl]ethoxy}-3-(4-fluorophenyl)morpholine;

Suppliers and Price of (2S,3R)-2-((S)-1-(3,5-bis(trifluoroMethyl)phenyl)ethoxy)-3-(4-fluorophenyl)Morpholine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Des-1,2,4-triazol-3-one-5-methyl(2S,3R,1''S)-Aprepitant
1mg
$ 90.00

Total 25 raw suppliers

Chemical Property of (2S,3R)-2-((S)-1-(3,5-bis(trifluoroMethyl)phenyl)ethoxy)-3-(4-fluorophenyl)Morpholine

Chemical Property:

Boiling Point:387.9±42.0 °C(Predicted)
PKA:6.93±0.60(Predicted)
PSA：30.49000
Density:1.37±0.1 g/cm3(Predicted)
LogP:5.95690

Purity/Quality:

99% ^*data from raw suppliers

Des-1,2,4-triazol-3-one-5-methyl(2S,3R,1''S)-Aprepitant ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Uses Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1''S)-Aprepitant is an impurity of Aprepitant (A729800); a novel selective neurokinin-1 (NK-1) receptor antagonist. In vitro studies using human liver microsomes indicate that Aprepitant is metabolised primarily by CYP3A4 with minor metabolism by CYP1A2 and CYP2C19, and no metabolism by CYP2D6, CYP2C9, or CYP2E1. Antiemetic.

Technology Process of (2S,3R)-2-((S)-1-(3,5-bis(trifluoroMethyl)phenyl)ethoxy)-3-(4-fluorophenyl)Morpholine

There total 8 articles about (2S,3R)-2-((S)-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:

: C₂₀H₁₈F₇NO₂

: 327623-37-0
(2S,3R)-2-[(1S)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine

: 171338-27-5
[2R-[2α(R*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

Guidance literature:: With diethyl (2S,3S)-tartrate; N-ethyl-N,N-diisopropylamine; calcium chloride; In tert-butyl methyl ether; acetone; at 20 ℃; for 4h; Reagent/catalyst; Overall yield = 75.6 percent; Overall yield = 33.07 g;

Reference yield:

: 1523569-83-6
C₂₈H₂₄F₇NO₂

: 1185503-48-3
(2S,3R)-2-[(1R)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine

: 327623-37-0
(2S,3R)-2-[(1S)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine

Guidance literature:: With palladium 10% on activated carbon; hydrogen; toluene-4-sulfonic acid; In methanol; at 20 ℃; for 5h; Overall yield = 98 %;
DOI:10.1016/j.cclet.2013.07.017