1-(3-Trifluoromethylphenyl)ethylamine

Base Information

• Chemical Name: 1-(3-Trifluoromethylphenyl)ethylamine
• CAS No.: 59382-36-4
• Molecular Formula: C9H10F3N
• Molecular Weight: 189.18
• Hs Code.: 2921490090
• European Community (EC) Number: 692-020-7
• DSSTox Substance ID: DTXSID00382090
• Nikkaji Number: J3.520.552G
• Mol file: 59382-36-4.mol

Synonyms:59382-36-4;1-(3-Trifluoromethylphenyl)ethylamine;1-(3-(Trifluoromethyl)phenyl)ethanamine;1-[3-(trifluoromethyl)phenyl]ethanamine;(RS)-1-[3-(Trifluoromethyl)phenyl]ethylamine;1-(3-trifluoromethylphenyl)ethanamine;1-[3-(trifluoromethyl)phenyl]ethylamine;3-trifluoroMethylphenylethanaMine;MFCD04038877;1-(3-(trifluoromethyl)phenyl)ethylamine;1-[3-(trifluoromethyl)phenyl]ethan-1-amine;(R,S)-1-[3-(Trifluoromethyl)phenyl]ethylamine;MFCD03093005;(R)-1-(3-Trifluoromethyl-phenyl)-ethylamine;SCHEMBL40102;DTXSID00382090;ODZXRBRYQGYVJY-UHFFFAOYSA-N;ODZXRBRYQGYVJY-UHFFFAOYSA-O;BCP29034;STL220678;AKOS000264487;AKOS016338566;AB90526;AM82815;SB32620;SB32621;1-[3-(trifluoromethyl)phenyl]-ethanamine;1-[3-(trifluoromethyl)phenyl]-ethylamine;SY002508;SY185685;alpha-Methyl-3-(trifluoromethyl)benzylamine;CS-0077583;FT-0605130;FT-0605299;FT-0649938;EN300-10650;J3.520.552G;A869209;Alpha-methyl-3-(trifluoromethyl)benzenemethanamine;alpha-Methyl-3-(trifluoromethyl)benzenemethaneamine;Alpha-methyl-3-(trifluoromethyl)-benzenemethanamine;J-502120;J-502304;J-502344;J-519574;J-519575;Z56347482

Chemical Property of 1-(3-Trifluoromethylphenyl)ethylamine

Chemical Property:

• Melting Point: 0°C
• Boiling Point: 184.1 °C at 760 mmHg
• PKA: 8.72±0.10(Predicted)
• Flash Point: 72.2 °C
• Density: 1.18 g/cm³
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.07653381
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-Trifluoromethylphenyl)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Trifluoromethylphenyl)ethylamine

There total 5 articles about 1-(3-Trifluoromethylphenyl)ethylamine 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: 99.0%

3'-(trifluoromethyl)acetophenone (349-76-8) → 1-(3-(trifluoromethyl)phenyl)ethan-1-amine (59382-36-4)

Guidance literature:

3'-(trifluoromethyl)acetophenone; With aluminium(III) triflate; (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); ammonia; 1,2-bis-(diphenylphosphino)ethane; In dodecane; toluene; at -5 ℃; for 0.5h; under 4500.45 Torr; Autoclave;

With hydrogen; In dodecane; toluene; at 140 ℃; for 16h; under 30003 Torr; chemoselective reaction; Acidic conditions;

DOI:10.1002/adsc.201500968

Reference yield: 82.0%

→ 1-(3-(trifluoromethyl)phenyl)ethan-1-amine (59382-36-4)

Guidance literature:

With ammonium formate; In methanol; at 80 ℃; for 0.166667h; Inert atmosphere;

With formic acid; C₂₉H₃₂ClIrNO; triethylamine; In methanol; at 80 ℃;

Reference yield:

3-(trifluoromethyl)styrene (402-24-4) → 1-(3-(trifluoromethyl)phenyl)ethan-1-amine (59382-36-4) + 2-(3-trifluoromethylphenyl)ethylamine (52516-30-0)

Guidance literature:

3-(trifluoromethyl)styrene; In carbon disulfide; at 20 ℃; for 5h;

With hydroxylamine-O-sulfonic acid; In methanol; carbon disulfide; at 0 - 20 ℃; for 12h; Further stages. Title compound not separated from byproducts.;

DOI:10.1016/j.jfluchem.2006.06.013

upstream raw materials:

3'-(trifluoromethyl)acetophenone

3-bromo-1-trifluoromethylbenzene

3-(trifluoromethyl)styrene

1-(3-trifluoromethylphenyl)ethanol

Downstream raw materials:

1-methyl-3-{[1-(3-trifluoromethyl-phenyl)ethylamino]methyl}-1H-quinoxalin-2-one

C₁₆H₁₅F₄NO₂S

4-oxo-4-(1-(3-(trifluoromethyl)phenyl)ethylamino)butanoic acid

2-(2-(phenylsulfonyl)ethylthio)-N-(1-(3-(trifluoromethyl)phenyl)ethyl)-nicotinamide

Refernces

• 1、 -. "METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS". Paragraph 0212; 0219-0221. . Retrieved 2018/07/29.
• 2、 Martínez-Montero, Lía,Gotor, Vicente,Gotor-Fernández, Vicente,Lavandera, Iván. "Stereoselective amination of racemic sec-alcohols through sequential application of laccases and transaminases". supporting information. p. 474 - 480. Retrieved 2017/06/23.