2,2,2-TRIFLUOROETHYLAMINE

Base Information

• Chemical Name: 2,2,2-TRIFLUOROETHYLAMINE
• CAS No.: 753-90-2
• Molecular Formula: C2H4 F3N
• Molecular Weight: 99.0557
• Hs Code.: 29211990
• European Community (EC) Number: 212-041-3
• DSSTox Substance ID: DTXSID6061070
• Nikkaji Number: J150.065A
• Wikidata: Q72511114
• ChEMBL ID: CHEMBL1162282
• Mol file: 753-90-2.mol

Synonyms:Ethylamine,2,2,2-trifluoro- (6CI,7CI,8CI);1-Amino-2,2,2-trifluoroethane;2,2,2-Trifluoro-1-aminoethane;2,2,2-Trifluoro-1-ethanamine;2,2,2-Trifluoroethanamine;2,2,2-Trifluoroethylamine;TFEA;b,b,b-Trifluoroethylamine;

Chemical Property of 2,2,2-TRIFLUOROETHYLAMINE

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: ~7.6 psi ( 20 °C)
• Melting Point: 37-38 °C
• Refractive Index: n20/D 1.301(lit.)
• Boiling Point: 36 °C at 760 mmHg
• PKA: 5.47±0.30(Predicted)
• Flash Point: -16 °C
• PSA: 26.02000
• Density: 1.213 g/cm³
• LogP: 1.20770
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 99.02958362
• Heavy Atom Count: 6
• Complexity: 38.5

Purity/Quality:

98% ^*data from raw suppliers

2,2,2-Trifluoroethylamine >97.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C,T,Xi
• Statements: 11-34-52/53-22
• Safety Statements: 26-36/37/39-45-25-16-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(F)(F)F)N
• Uses: 2,2,2-Trifluoroethanamine is a reagent used in chemical synthesis. 2,2,2-Trifluoroethylamine was used in the determination of ibuprofen (2-(p-isobutylphenyl)propionic acid), a non-steroid anti-inflammatory drug (NSAID) residue in surface and wastewater samples.

Technology Process of 2,2,2-TRIFLUOROETHYLAMINE

There total 30 articles about 2,2,2-TRIFLUOROETHYLAMINE 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: 94.0%

1,1,1-trifluoro-2-chloroethane (75-88-7) → trifluoroethylamine (753-90-2)

Guidance literature:

With dmap; ammonia; at 110 ℃; Temperature;

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: 29.0%

1-Chlor-tetrafluor-1-nitro-aethan (2261-27-0) → trifluoroethylamine (753-90-2)

Guidance literature:

With hydrogen; at 60-80°C 80 atm;

upstream raw materials:

2-bromo-1,1,1-trifluoroethane

1,1,1-trifluoro-2-chloroethane

trifluoroacetonitrile

3,3,3-trifluoropropionamide

Downstream raw materials:

(+/-)-N-(2,2,2-Trifluoroethyl)-2-chloropropionamide

N-(2,2,2-trifluoroethyl)benzamide

2-(4-Bromo-2-fluoro-benzyl)-1,3-dioxo-4-[(2,2,2-trifluoro-ethylcarbamoyl)-methyl]-1,2,3,4-tetrahydro-isoquinoline-4-carboxylic acid methyl ester

4-Methoxy-N-(2,2,2-trifluoro-ethyl)-benzenesulfonamide

Refernces

• 1、 -. "Catalytic preparation method of trifluoroethylamine compound". Paragraph 0042-0052. . Retrieved 2019/01/14.
• 2、 Pastoriza, Cristina,Antelo, Juan Manuel,Crugeiras, Juan,Pena-Gallego, Angeles. "Kinetic study of the formation of N-chloro compounds using N-chlorosuccinimide". . p. 407 - 418. Retrieved 2014/05/06.