2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)morpholine

Base Information

• Chemical Name: 2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)morpholine
• CAS No.: 382-28-5
• Deprecated CAS: 173717-78-7
• Molecular Formula: C5F11 N O
• Molecular Weight: 299.044
• Hs Code.: 2934999090
• European Community (EC) Number: 206-841-1
• UNII: 9NK59N4YVE
• DSSTox Substance ID: DTXSID7059933
• Nikkaji Number: J213.608B
• Wikidata: Q81985268
• Mol file: 382-28-5.mol

Synonyms:Perfluoro-N-methylmorpholine;382-28-5;2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)morpholine;Perfluoro(N-methylmorpholine);EINECS 206-841-1;9NK59N4YVE;Morpholine, 2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)-;EC 206-841-1;2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)-morpholin;C5F11NO;UNII-9NK59N4YVE;Perfluoro(4-methylmorpholine);SCHEMBL288725;perfluoro-(N-methyl-morpholine);DTXSID7059933;C5-F11-N-O;PERFLUOR(N-METHYLMORPHOLIN);4-trifluoromethylperfluoromorpholine;MFCD00042442;AKOS015853274;FC-3284;PERFUORO(4-METHYLMORPHOLINE), 98%;FT-0676135;A824068;2,2,3,3,5,5,6,6-octakis(fluoranyl)-4-(trifluoromethyl)morpholine

Chemical Property of 2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)morpholine

Chemical Property:

• Vapor Pressure: 1210mmHg at 25°C
• Melting Point: -79.9°C
• Boiling Point: 12.4°Cat760mmHg
• Flash Point: °C
• PSA: 12.47000
• Density: 1.81g/cm³
• LogP: 3.14750
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 0
• Exact Mass: 298.98042341
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

99.9% ^*data from raw suppliers

Perfluoro-N-methylmorpholine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C1(C(OC(C(N1C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Uses: Perfluoro-N-methylmorpholine (CAS# 382-28-5) can be used as a case for lithium metal secondary battery, or a cathode for lithium battery. It can also be used in methods to manufacture lithium electrode to improve productivity.

Technology Process of 2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)morpholine

There total 27 articles about 2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)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: 63.7%

(2-methyl-3-morpholin-4-yl)propionic acid methyl ester (20120-26-7) → perfluoro(N-ethylmorpholine) (55716-11-5) + perfluorodiethyl ether (358-21-4) + 2,2,3,3,5,5,6,6-Octafluoro-4-trifluoromethyl-morpholine (382-28-5) + 2-[difluoro-(2,2,3,3, 5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoro-propanoyl fluoride (122531-27-5)

Guidance literature:

With hydrogen fluoride; at 7 - 8 ℃; for 7.53333h; Further byproducts given; electrochemical reaction; anodic current density of 3.5 A dm^-2, a cell voltage of 7.1 V - 7.6 V;

DOI:10.1016/0022-1139(93)03019-I

Reference yield: 63.7%

(2-methyl-3-morpholin-4-yl)propionic acid methyl ester (20120-26-7) → perfluoro(N-n-propylmorpholine) (1704-69-4) + perfluorodiethyl ether (358-21-4) + 2,2,3,3,5,5,6,6-Octafluoro-4-trifluoromethyl-morpholine (382-28-5) + 2-[difluoro-(2,2,3,3, 5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoro-propanoyl fluoride (122531-27-5)

Guidance literature:

With hydrogen fluoride; at 7 - 8 ℃; for 7.53333h; Further byproducts given; electrochemical reaction; anodic current density of 3.5 A dm^-2, a cell voltage of 7.1 V - 7.6 V;

DOI:10.1016/0022-1139(93)03019-I

Reference yield: 21.2%

N-Methyldiethanolamine (105-59-9) → Perfluoro-N,N-dimethylaminoacetyl fluoride (382-27-4) + 2,2,3,3,5,5,6,6-Octafluoro-4-trifluoromethyl-morpholine (382-28-5) + Perfluoro-[N,N-bis(fluorocarbonylmethyl)methylamine] (250688-32-5)

Guidance literature:

With hydrogen fluoride; at 7 - 8 ℃; for 11.25h; Electrochemical reaction;

DOI:10.1016/S0022-1139(99)00106-2

upstream raw materials:

4-methyl-morpholine

methyl 3-morpholinopropionate

methyl 2-morpholin-4-ylacetate

N,N-diethylglycine methyl ester

Refernces

• 1、 Rendell,R.W.,Wright,B.. "-". . p. 197 - 203. Retrieved 1978.
• 2、 Abe,Baba,Okuhara,Fukaya. "Electrochemical fluorination of several methyl and/or ethyl esters of morpholino-substituted carboxylic acids". . p. 115 - 128. Retrieved 2007/10/03.
• 3、 Abe, Takashi,Soloshonok, Irina,Baba, Hajime,Sekiya, Akira. "Electrochemical fluorination of di- and tri-(2-hydroxyethyl)-substituted alkylamines". . p. 51 - 57. Retrieved 2007/10/03.