(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate

Base Information

• Chemical Name: (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate
• CAS No.: 200000-59-5
• Molecular Formula: C20H18F7NO2.C7H8O3S
• Molecular Weight: 609.55300
• DSSTox Substance ID: DTXSID30469085
• Mol file: 200000-59-5.mol

Synonyms:200000-59-5;(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate;(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine;4-methylbenzenesulfonic acid;(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate;C27H26F7NO5S;(2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)MORPHOLINE 4-METHYLBENZENESULFONATE;SCHEMBL3592591;DTXSID30469085;AMY32561;BCP07703;MFCD13183777;AKOS015999500;GS-2607;CS-0162596;(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine4-methylbenzenesulfonate;4-methylbenzene-1-sulfonic acid;2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)-ethoxy)-3-(S)-(4-fluorophenyl)morpholine TsOH;2-(R)-(1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-(4-fluorophenyl)morpholine TsOH;4-Methylbenzene-1-sulfonic acid--(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine (1/1)

Chemical Property of (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate

Chemical Property:

• Appearance/Colour: solid
• PSA: 93.24000
• LogP: 8.27940
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 609.14199124
• Heavy Atom Count: 41
• Complexity: 733

Purity/Quality:

99%min ^*data from raw suppliers

(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(NCCO2)C3=CC=C(C=C3)F
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)C3=CC=C(C=C3)F

Technology Process of (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate

There total 4 articles about (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate 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:

toluene-4-sulfonic acid (104-15-4) + (2R,3S)-2-[[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]oxy]-3-(4-fluorophenyl)-4-(phenylmethyl)morpholine → (2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate (200000-59-5)

Guidance literature:

(2R,3S)-2-[[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]oxy]-3-(4-fluorophenyl)-4-(phenylmethyl)morpholine; With hydrogen; palladium 10% on activated carbon; In ethanol; ethyl acetate; for 6 - 8h; under 2068.65 - 2327.23 Torr;

toluene-4-sulfonic acid; In hexane; tert-butyl methyl ether; water; at 20 ℃; for 2.25h;

Reference yield:

(+/-)-trans-4-benzyl-2-[2-(3,5-bis-trifluoromethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine → C7H8O3S*C20H18F7NO2 (200000-59-5) + C7H8O3S*C20H18F7NO2 (200000-59-5)

Guidance literature:

With hydrogen; toluene-4-sulfonic acid; 5% palladium over charcoal; In methanol; toluene; at 30 ℃; for 4h;

Reference yield:

(+/-)-trans-4-benzyl-2-[2-(3,5-bis-trifluoromethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine → C7H8O3S*C20H18F7NO2 (200000-59-5) + C7H8O3S*C20H18F7NO2 (200000-59-5)

Guidance literature:

With hydrogen; toluene-4-sulfonic acid; 5% palladium over charcoal; In methanol; toluene; at 30 ℃; for 4h;

upstream raw materials:

toluene-4-sulfonic acid