2,2,2-Trifluoro-1-phenylethanamine hydrochloride

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-phenylethanamine hydrochloride
• CAS No.: 13652-09-0
• Molecular Formula: C8H9ClF3N
• Molecular Weight: 211.614
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID90504688
• Mol file: 13652-09-0.mol

Synonyms:13652-09-0;2,2,2-Trifluoro-1-phenylethanamine hydrochloride;2,2,2-Trifluoro-1-phenyl-ethylamine hydrochloride;2,2,2-Trifluoro-1-phenylethylamine Hydrochloride;2,2,2-trifluoro-1-phenylethan-1-amine hydrochloride;2,2,2-TRIFLUORO-1-PHENYL-ETHYLAMINE HCL;2,2,2-trifluoro-1-phenylethanamine;hydrochloride;MFCD00971700;2,2,2-Trifluoro-1-phenylethylamine HCl;Benzenemethanamine, alpha-(trifluoromethyl)-, hydrochloride (1:1);MFCD07776798;2,2,2-Trifluoro-1-phenylethylamineHydrochloride;SCHEMBL4708717;DTXSID90504688;LCQGOISHUDYBOS-UHFFFAOYSA-N;AKOS005255723;AB07860;SB32638;SB79301;2,2,2-Trifluoro-1-phenylethanamine HCl;AC-29539;BS-15414;SY005422;SY290611;CS-0089740;FT-0636933;FT-0660680;EN300-65380;(2,2,2-trifluoro-1-phenylethyl)amine hydrochloride;W-205484;(R)-2,2,2-Trifluoro-1-phenethylamine Hydrochloride;Z1262398374;2,2,2-Trifluoro-1-phenyl-ethylamine hydrochloride, AldrichCPR;Benzenemethanamine, a-(trifluoromethyl)-,hydrochloride (1:1);2,2,2-Trifluoro-1-phenylethan-1-amine--hydrogen chloride (1/1)

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

Chemical Property:

• Vapor Pressure: 0.0356mmHg at 25°C
• Melting Point: 180 °C (sublm)
• Boiling Point: 237.7 °C at 760 mmHg
• Flash Point: 97.6 °C
• PSA: 26.02000
• LogP: 3.75100
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 211.0375615
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• 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.Cl

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

There total 6 articles about 2,2,2-Trifluoro-1-phenylethanamine hydrochloride 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: 97.0%

N-benzylidene(1-phenyl-2,2,2-trifluoroethyl)amine (119561-20-5) → (RS)-1-phenyl-2,2,2-trifluoroethylamine hydrochloride (13652-09-0,128404-37-5,189350-64-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; Ambient temperature;

DOI:10.1021/jo960503g

Reference yield: 96.0%

N-benzylidene-2,2,2-trifluoro-1-(phenyl)ethylamine → (RS)-1-phenyl-2,2,2-trifluoroethylamine hydrochloride (13652-09-0,128404-37-5,189350-64-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 4h; Ambient temperature;

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

Reference yield: 92.0%

2,2,2-Trifluoroacetophenone (434-45-7) → (RS)-1-phenyl-2,2,2-trifluoroethylamine hydrochloride (13652-09-0,128404-37-5,189350-64-9)

Guidance literature:

2,2,2-Trifluoroacetophenone; With lithium hexamethyldisilazane; In tetrahydrofuran; toluene; at 20 ℃; for 0.25h;

With sodium hydroxide; dimethylsulfide borane complex; In tetrahydrofuran; toluene; at 20 ℃; for 1.5h;

With hydrogenchloride; In diethyl ether; toluene; at 20 ℃; for 1h;

DOI:10.1021/ol047431x

upstream raw materials:

[1-Phenyl-eth-(E)-ylidene]-(2,2,2-trifluoro-1-phenyl-ethyl)-amine

N-benzylidene(1-phenyl-2,2,2-trifluoroethyl)amine

2,2,2-Trifluoroacetophenone

N-(1-phenyl-2,2,2-trifluoroisopropylidene)benzylamine

Downstream raw materials:

1-amino-2,2,2-trifluoro-1-phenylethane