2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanamine

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanamine
• CAS No.: 179996-42-0
• Molecular Formula: C₉H₁₀F₃NO
• Molecular Weight: 205.18
• European Community (EC) Number: 833-128-8
• DSSTox Substance ID: DTXSID40600366
• Nikkaji Number: J1.832.410E
• Mol file: 179996-42-0.mol

Synonyms:179996-42-0;2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine;2,2,2-TRIFLUORO-1-(4-METHOXY-PHENYL)-ETHYLAMINE;2,2,2-trifluoro-1-(4-methoxyphenyl)ethan-1-amine;MFCD06738690;2,2,2-Trifluoro-1-(4-methoxyphenyl)ethylamine;BENZENEMETHANAMINE, 4-METHOXY-ALPHA-(TRIFLUOROMETHYL)-;MFCD07374547;SCHEMBL149205;DTXSID40600366;WXWSEEIYIQOYNZ-UHFFFAOYSA-N;AKOS000183082;AKOS016842804;AB27662;AB39756;AB39760;AS-42232;SY043093;SY261840;DB-028814;CS-0005284;EN300-129363;A812512;2,2,2-tris(fluoranyl)-1-(4-methoxyphenyl)ethanamine

Chemical Property of 2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.0195mmHg at 25°C
• Refractive Index: 1.468
• Boiling Point: 252.3°C at 760 mmHg
• Flash Point: 106.4°C
• PSA: 35.25000
• Density: 1.228g/cm³
• LogP: 2.95760
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 205.07144843
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C(F)(F)F)N

Technology Process of 2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanamine

There total 4 articles about 2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanamine 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: 81.0%

benzhydryl-[2,2,2-trifluoro-1-(4-methoxy-phenyl)-ethyl]-amine (511522-48-8) → 1-(4-methoxyphenyl)-2,2,2-trifluoroethylamine (179996-42-0)

Guidance literature:

With hydrogenchloride; for 8h; Heating;

DOI:10.1246/bcsj.75.2637

Reference yield:

4'-methoxy-2,2,2-trifluoroacetophenone (711-38-6) → 1-(4-methoxyphenyl)-2,2,2-trifluoroethylamine (179996-42-0)

Guidance literature:

Multi-step reaction with 2 steps

1: TiCl₄ / toluene / 0.5 h / Ambient temperature

2: 1.) 1,8-diazabicyclo<5.4.0>undec-7-ene, 2.) 2M aq. HCl / 1.) 120 deg C, 24 h

With hydrogenchloride; titanium tetrachloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene;

DOI:10.1021/ja9614629

Reference yield:

(1-Phenyl-ethyl)-[2,2,2-trifluoro-1-(4-methoxy-phenyl)-eth-(E)-ylidene]-amine → 1-(4-methoxyphenyl)-2,2,2-trifluoroethylamine (179996-42-0)

Guidance literature:

With hydrogenchloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; Multistep reaction; 1.) 120 deg C, 24 h;

DOI:10.1021/ja9614629

upstream raw materials:

benzhydryl-[2,2,2-trifluoro-1-(4-methoxy-phenyl)-ethyl]-amine

4'-methoxy-2,2,2-trifluoroacetophenone