4-[4-Nitro-2-(trifluoromethyl)phenyl]morpholine

Base Information

• Chemical Name: 4-[4-Nitro-2-(trifluoromethyl)phenyl]morpholine
• CAS No.: 54672-11-6
• Molecular Formula: C11H11F3N2O3
• Molecular Weight: 276.215
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90346505
• Wikidata: Q82119598
• Mol file: 54672-11-6.mol

Synonyms:4-[4-Nitro-2-(trifluoromethyl)phenyl]morpholine;54672-11-6;4-(4-Nitro-2-(trifluoromethyl)phenyl)morpholine;2-Morpholino-5-nitrobenzotrifluoride;4-(4-Nitro-2-trifluoromethyl-phenyl)-morpholine;SCHEMBL3212217;DTXSID90346505;MFCD00100093;STK147722;AKOS000427489;CS-0208391;4-[4-Nitro-2-(trifluoromethyl)phenyl]-morpholine;5Y-0055

Chemical Property of 4-[4-Nitro-2-(trifluoromethyl)phenyl]morpholine

Chemical Property:

• PSA: 58.29000
• LogP: 3.03840
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 276.07217670
• Heavy Atom Count: 19
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Nitro-2-(trifluoromethyl)phenyl)morpholine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Technology Process of 4-[4-Nitro-2-(trifluoromethyl)phenyl]morpholine

There total 2 articles about 4-[4-Nitro-2-(trifluoromethyl)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: 94.2%

morpholine (110-91-8,99108-56-2) + 2-Fluoro-5-nitrobenzotrifluoride (400-74-8) → 4-(4-nitro-2-(trifluoromethyl)phenyl)morpholine (54672-11-6)

Guidance literature:

In dimethyl sulfoxide; at 100 ℃; for 5h;

DOI:10.1016/j.ejmech.2017.02.041

Reference yield:

morpholine (110-91-8,99108-56-2) + 4-chloro-3-(trifluoromethyl)nitrobenzene (777-37-7) → 4-(4-nitro-2-(trifluoromethyl)phenyl)morpholine (54672-11-6)

Guidance literature:

In ethanol; Heating;

DOI:10.1055/s-1974-23461

Reference yield: 100.0%

4-(4-nitro-2-(trifluoromethyl)phenyl)morpholine (54672-11-6) → 4-morpholin-4-yl-3-(trifluoro-methyl)aniline (105316-06-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 24h; under 760.051 Torr;

upstream raw materials:

morpholine

4-chloro-3-(trifluoromethyl)nitrobenzene

2-Fluoro-5-nitrobenzotrifluoride

Downstream raw materials:

4-morpholin-4-yl-3-(trifluoro-methyl)aniline

N-(3-trifluoromethyl-4-morpholinophenyl)-3-oxobutanamide

(2Z)-3-amino-N-(3-trifluoromethyl-4-morpholinophenyl)but-2-enamide

2,6-dimethyl-3-(4-morpholino-3-(trifluoromethyl)phenyl)pyrimidin-4(3H)-one