Bis(2,2,2-trifluoroethyl)amine

Base Information

• Chemical Name: Bis(2,2,2-trifluoroethyl)amine
• CAS No.: 407-01-2
• Molecular Formula: C4H5 F6 N
• Molecular Weight: 181.081
• Hs Code.: 2921199090
• European Community (EC) Number: 206-978-7
• UNII: 647ERY9JBN
• DSSTox Substance ID: DTXSID30193671
• Nikkaji Number: J213.664C
• Wikidata: Q81985540
• Mol file: 407-01-2.mol

Synonyms:Bis(2,2,2-trifluoroethyl)amine;407-01-2;Bis(trifluoroethyl)amine;2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)ethanamine;Ethanamine, 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)-;EINECS 206-978-7;MFCD00042094;1,1,15,5,5-hexafluoro-3-azapentane;1,1,1,5,5,5-Hexafluoro-3-azapentane;Bis(trifluoroethyl)-amin;647ERY9JBN;SCHEMBL141561;DTXSID30193671;bis-(2,2,2-trifluoroethyl)amine;C4-H5-F6-N;AKOS000257364;AT23923;BS-23487;FT-0622980;EN300-58454;A825246;2,2,2-Trifluoro-N-(2,2,2-trifluoroethyl)ethanamine, AldrichCPR;2,2,2-tris(fluoranyl)-N-[2,2,2-tris(fluoranyl)ethyl]ethanamine

Chemical Property of Bis(2,2,2-trifluoroethyl)amine

Chemical Property:

• Vapor Pressure: 574mmHg at 25°C
• Refractive Index: 1.301
• Boiling Point: 32.4°Cat760mmHg
• PKA: 1.18±0.70(Predicted)
• Flash Point: °C
• PSA: 12.03000
• Density: 1.329g/cm³
• LogP: 2.09150
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 181.03261814
• Heavy Atom Count: 11
• Complexity: 98.7

Purity/Quality:

99% ^*data from raw suppliers

Bis(2,2,2-trifluoroethyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,F,Xi
• Hazard Codes: C,F,Xi,Xn
• Statements: 20/21/22-36/37/38-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C(C(F)(F)F)NCC(F)(F)F

Technology Process of Bis(2,2,2-trifluoroethyl)amine

There total 5 articles about Bis(2,2,2-trifluoroethyl)amine 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: 83.0%

trifluoroacetonitrile (353-85-5) → trifluoroethylamine (753-90-2) + bis(2,2,2-trifluoroethyl)amine (407-01-2)

Guidance literature:

With hydrogen; palladium/alumina; at 50-60°C; product isolated as CF3CH2NH2*HCl;

Reference yield:

trifluoroethylamine (753-90-2) → 1,1,1-trifluoro-2-chloroethane (75-88-7) + 2,2,2-trifluoroethanol (75-89-8) + nitroso-bis-(2,2,2-trifluoro-ethyl)-amine (625-89-8) + bis(2,2,2-trifluoroethyl)amine (407-01-2)

Guidance literature:

With bis(2,2'-bipyridine)ruthenium(II)-nitrosyl-chloride hexafluorophosphate; In acetonitrile; at 20 ℃; for 48h; Further Variations:; Solvents; Product distribution;

DOI:10.1016/S0040-4020(02)00382-4

Reference yield:

N-(2,2,2-trifluoroethyl)trifluoroacetamide (407-37-4) → bis(2,2,2-trifluoroethyl)amine (407-01-2)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/jo01368a017

upstream raw materials:

N-(2,2,2-trifluoroethyl)trifluoroacetamide

2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

trifluoroethylamine

trifluoroacetonitrile

Downstream raw materials:

N'-phenyl-N,N-bis-(2,2,2-trifluoro-ethyl)-urea

4-fluoro-3-nitro-N,N-bis(2,2,2-trifluoroethyl)-benzamide

lithium bis(2,2,2-trifluoroethyl)dithiocarbamate

4-Methyl-N,N-bis-(2,2,2-trifluoro-ethyl)-benzamide

Refernces

• 1、 Buerger, H.,Krumm, B.,Pawelke, G.. "TRIS(2,2,2-TRIFLUOROETHYL)AMINE AND ITS REACTIONS WITH HALOGENS". . p. 147 - 154. Retrieved 2007/10/02.