2-(4-(Trifluoromethoxy)phenyl)ethanamine

Base Information

• Chemical Name: 2-(4-(Trifluoromethoxy)phenyl)ethanamine
• CAS No.: 170015-99-3
• Molecular Formula: C9H10 F3 N O
• Molecular Weight: 205.18
• European Community (EC) Number: 826-607-8
• DSSTox Substance ID: DTXSID20442741
• Wikidata: Q72511448
• Mol file: 170015-99-3.mol

Synonyms:170015-99-3;2-(4-(TRIFLUOROMETHOXY)PHENYL)ETHANAMINE;2-[4-(trifluoromethoxy)phenyl]ethanamine;4-(trifluoromethoxy)phenylethylamine;4-(trifluoromethoxy)phenethylamine;2-[4-(trifluoromethoxy)phenyl]ethan-1-amine;(2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHYL)AMINE;{2-[4-(Trifluoromethoxy)phenyl]ethyl}amine;Benzeneethanamine, 4-(trifluoromethoxy)-;MFCD06212783;2-(4-Trifluoromethoxyphenyl)ethylamine;(2-(4-(trifluoromethoxy)phenyl)ethyl)amine;SCHEMBL718129;DTXSID20442741;CK2438;AKOS000161986;AM82900;CS-W021396;FS-2712;SB78249;4-(Trifluoromethoxy)phenethylamine, 95%;NCGC00333195-01;2-(4-trifluoromethoxy-phenyl)-ethylamine;SY026017;2-(4-(Trifluoromethoxy) phenyl)ethanamine;2-(4-trifluoromethoxy-phenyl)-ethyl amine;FT-0649267;EN300-42606;AB00998582-01;AB00998582-03;{2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHYLAMINE;A882060;J-500614

Chemical Property of 2-(4-(Trifluoromethoxy)phenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.187mmHg at 25°C
• Boiling Point: 211℃
• PKA: 9.60±0.10(Predicted)
• Flash Point: 81℃
• PSA: 35.25000
• Density: 1.233
• LogP: 2.78670
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 205.07144843
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-(Trifluoromethoxy)phenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCN)OC(F)(F)F

Technology Process of 2-(4-(Trifluoromethoxy)phenyl)ethanamine

There total 4 articles about 2-(4-(Trifluoromethoxy)phenyl)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: 86.7%

(4-trifluoromethoxy-phenyl)-acetonitrile (49561-96-8) → 2-[4-(trifluoromethoxy)phenyl]ethylamine (170015-99-3)

Guidance literature:

With ammonia; In methanol;

Reference yield: 80.0%

→ 2-[4-(trifluoromethoxy)phenyl]ethylamine (170015-99-3)

Guidance literature:

With ammonia; hydrogen; In methanol; under 2585.81 Torr;

Reference yield: 29.0%

2-[4-(trifluoromethoxy)phenyl]acetamide (898271-42-6) → 2-[4-(trifluoromethoxy)phenyl]ethylamine (170015-99-3)

Guidance literature:

2-[4-(trifluoromethoxy)phenyl]acetamide; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 ℃; for 5h; Heating / reflux;

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃;

With sodium hydrogencarbonate; In water;

upstream raw materials:

(4-trifluoromethoxy-phenyl)-acetonitrile

2-[4-(trifluoromethoxy)phenyl]acetamide

Downstream raw materials:

C₁₁H₉F₆NO₂

6-(1-chloroethyl)-5-iodo-4-[2-(4-trifluoromethoxyphenyl)ethylamino]pyrimidine

flufenerim

trifluoromethanesulfonic acid 2-methoxy-6-[2-(4-trifluoromethoxyphenyl)ethylamino]pyrimidin-4-yl ester

Refernces

• 1、 -. "17α-HYDROXYLASE/C17,20-LYASE INHIBITORS". Page/Page column 132. . Retrieved 2012/04/04.
• 2、 -. "NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS". Page/Page column 200. . Retrieved 2008/06/13.