2-(Trifluoromethyl)morpholine hydrochloride

Base Information

• Chemical Name: 2-(Trifluoromethyl)morpholine hydrochloride
• CAS No.: 1196152-51-8
• Molecular Formula: C₅H₈F₃NO*ClH
• Molecular Weight: 191.581
• Hs Code.: 2934999090
• European Community (EC) Number: 812-908-1
• Mol file: 1196152-51-8.mol

Synonyms:2-(trifluoromethyl)morpholine hydrochloride;1196152-51-8;2-Trifluoromethyl-morpholine hydrochloride;2-(trifluoromethyl)morpholine;hydrochloride;2-(Trifluoromethyl)morpholine HCl;MFCD13189488;2-trifluoromethylmorpholine hydrochloride;SCHEMBL14919370;INIKTCFEWCCJMM-UHFFFAOYSA-N;AKOS026676795;AB68509;AB86834;PB40521;2-(trifluoromethyl)morpholinehydrochloride;BS-37164;CS-0064849;EN300-81684;P17947;F8887-7129

Chemical Property of 2-(Trifluoromethyl)morpholine hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 191.0324761
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

2-(Trifluoromethyl)morpholineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COC(CN1)C(F)(F)F.Cl

Technology Process of 2-(Trifluoromethyl)morpholine hydrochloride

There total 1 articles about 2-(Trifluoromethyl)morpholine hydrochloride 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: 87.0%

N-benzyl-2-trifluoromethylmorpholine (1430086-47-7) → (rac)-2-(trifluoromethyl)morpholine hydrochloride (1196152-51-8)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; water; for 3h; Inert atmosphere;

DOI:10.1016/j.tet.2013.03.067

Reference yield: 68.8%

(rac)-2-(trifluoromethyl)morpholine hydrochloride (1196152-51-8) + 4-fluoro-1,2-dinitro-benzene (364-53-4) → (rac)-4-(3,4-dinitrophenyl)-2-(trifluoromethyl)morpholine

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; at 45 ℃; for 16h;

Reference yield: 58.0%

(rac)-2-(trifluoromethyl)morpholine hydrochloride (1196152-51-8) + 3-[3-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,4-triazol-1-yl]pyridine-2-carboxylic acid → 5-(4-chlorophenyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-2-{[1-(2-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-3-yl)-1H-1,2,4-triazol-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

Guidance literature:

3-[3-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,4-triazol-1-yl]pyridine-2-carboxylic acid; With HATU; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

(rac)-2-(trifluoromethyl)morpholine hydrochloride; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

N-benzyl-2-trifluoromethylmorpholine

Downstream raw materials:

4-{[(4-isopropylphenyl)thio]acetyl}-2-(trifluoromethyl)morpholine

Refernces