2,2,2-Trifluoro-1-phenylethanamine

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-phenylethanamine
• CAS No.: 51586-24-4
• Molecular Formula: C8H8 F3 N
• Molecular Weight: 175.153
• Hs Code.: 2921499090
• European Community (EC) Number: 257-299-8
• DSSTox Substance ID: DTXSID90944641
• Nikkaji Number: J294.853B
• Mol file: 51586-24-4.mol

Synonyms:51586-24-4;2,2,2-Trifluoro-1-phenylethylamine;2,2,2-Trifluoro-1-phenylethanamine;2,2,2-Trifluoro-1-phenyl-ethylamine;2,2,2-trifluoro-1-phenylethan-1-amine;alpha-(Trifluoromethyl)benzylamine;MFCD01166245;C8H8F3N;EINECS 257-299-8;SCHEMBL40002;alpha-phenyl trifluoroethylamine;DTXSID90944641;AMY19134;EINECS 244-747-2;AKOS000178342;AKOS016843432;AB27666;AB27669;SB37444;(2,2,2-trifluoro-1-phenylethyl)amine;2,2,2-Trifluoro-1-phenylethanamine #;alpha-(Trifluoromethyl)benzenemethanamine;BS-13645;SY007239;(R)-(-)-alpha-(Trifluoromethyl)benzylamine;CS-0005285;FT-0660678;FT-0660679;FT-0691297;EN300-42369;Benzenemethanamine, .alpha.-(trifluoromethyl)-;A828672;2,2,2-trifluoro-1-phenyl-ethanamine

Chemical Property of 2,2,2-Trifluoro-1-phenylethanamine

Chemical Property:

• Vapor Pressure: 0.399mmHg at 25°C
• Boiling Point: 196.418°C at 760 mmHg
• PKA: 6.15±0.10(Predicted)
• Flash Point: 78.877°C
• PSA: 26.02000
• Density: 1.224g/cm³
• LogP: 2.94900
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.06088375
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98%Min ^*data from raw suppliers

2,2,2-Trifluoro-1-phenylethylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(F)(F)F)N

Technology Process of 2,2,2-Trifluoro-1-phenylethanamine

There total 15 articles about 2,2,2-Trifluoro-1-phenylethanamine 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%

2,2,2-trifluoroacetophenone oxime (655-25-4) → 1-amino-2,2,2-trifluoro-1-phenylethane (51586-24-4)

Guidance literature:

With hydrogenchloride; copper(II) sulfate; zinc; In ethanol; water; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2021.113190

Reference yield: 91.0%

(RS)-1-phenyl-2,2,2-trifluoroethylamine hydrochloride (13652-09-0,128404-37-5,189350-64-9) → 1-amino-2,2,2-trifluoro-1-phenylethane (51586-24-4)

Guidance literature:

With triethylamine; In diethyl ether; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(00)76845-6

Reference yield: 88.0%

α-(trifluoromethyl)benzylazide → 1-amino-2,2,2-trifluoro-1-phenylethane (51586-24-4)

Guidance literature:

With sodium hydroxide; In water;

upstream raw materials:

2,2,2-Trifluoroacetophenone

2,2,2-trifluoroacetophenone oxime

(RS)-1-phenyl-2,2,2-trifluoroethylamine hydrochloride

α-Methyl-N-<α-(trifluoromethyl)benzylidene>benzylamine

Downstream raw materials:

N-(α-phenyltrifluoroethyl) N'-(β-chloroethyl) Urea

ethyl (2,2,2-trifluoro-1-phenylethylamino)acetate

2,2-ditrifluoromethyl-N-(2,2,2-trifluoro-1-phenylethyl)-propanamide

(R)-(-)-2,2,2-Trifluoro-1-phenylethylamine

Refernces

• 1、 Biselli, Sabrina,Bresinsky, Merlin,Buschauer, Armin,Forster, Lisa,Honisch, Claudia,Pockes, Steffen,Tropmann, Katharina,Bernhardt, Günther. "Pharmacological characterization of a new series of carbamoylguanidines reveals potent agonism at the H2R and D3R". supporting information. . Retrieved 2021/02/12.
• 2、 Nguyen, Dat P.,Sladek, Rudolph N.,Do, Loi H.. "Scope and limitations of reductive amination catalyzed by half-sandwich iridium complexes under mild reaction conditions". supporting information. . Retrieved 2020/07/15.