2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine

Base Information

Chemical Name:2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine
CAS No.:171338-33-3
Molecular Formula:C20H19F6NO2
Molecular Weight:419.36100
Hs Code.:
DSSTox Substance ID:DTXSID50442931
Wikidata:Q82260542

Synonyms:171338-33-3;2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine;(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine;Morpholine, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-,(2R,3S)-;SCHEMBL7019973;DTXSID50442931;2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)-phenyl)ethoxy)-3-(S)-phenyl morpholine

Suppliers and Price of 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl 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

Total 6 raw suppliers

Chemical Property of 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine

Chemical Property:

Boiling Point:388.7±42.0 °C(Predicted)
PSA：30.49000
Density:1.33±0.1 g/cm3(Predicted)
LogP:5.81780
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:419.13199782
Heavy Atom Count:29
Complexity:498

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(NCCO2)C3=CC=CC=C3
Isomeric SMILES:C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)C3=CC=CC=C3

Technology Process of 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine

There total 5 articles about 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-phenyl 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: 75.0%

: 170729-73-4
2-(R)-(1-(3,5-bis(tri-fluoromethyl)phenyl)ethenyloxy)-3-(S)-phenyl-4-benzyl morpholine

: 170729-74-5
2-(R)-(1-(S)-(3,5-bis(tri-fluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine

: 171338-33-3
[2R-[2α(R*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; isopropyl alcohol; for 48h;
DOI:10.1021/jm980299k

Reference yield: 53.0%

: 100-58-3
phenylmagnesium bromide

: 287930-75-0
(2R,2αR)-4-benzyl-2-[1-[3,5-bis(trifluoromethyl)phenyl]]ethoxy-morpholin-3-one

: 171338-33-3
[2R-[2α(R*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine

Guidance literature:: phenylmagnesium bromide; (2R,2αR)-4-benzyl-2-[1-[3,5-bis(trifluoromethyl)phenyl]]ethoxy-morpholin-3-one; In tetrahydrofuran; at 15 - 25 ℃; for 0.5h;

With 5%-palladium/activated carbon; hydrogen; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; at 10 - 35 ℃; for 4h; under 258.581 Torr;
DOI:10.1021/op0501895

Reference yield:

: 785-56-8
3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride

: 171338-33-3
[2R-[2α(R*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) L-Selectride / 1.) THF, -78 deg C, 45 min, 2.) THF, -78 deg C, 30 min

2: 69 percent / tetrahydrofuran; toluene / 18 h / Heating

3: 75 percent / H₂ / 10percent Pd/C / ethyl acetate; propan-2-ol / 48 h

With hydrogen; L-Selectride; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate; isopropyl alcohol; toluene;
DOI:10.1021/jm980299k