o-(Trifluoromethyl)phenethylamine

Base Information

• Chemical Name: o-(Trifluoromethyl)phenethylamine
• CAS No.: 774-18-5
• Molecular Formula: C9H10 F3 N
• Molecular Weight: 189.18
• Hs Code.: 2921499090
• European Community (EC) Number: 212-262-5
• UNII: QWY96YFJ3Y
• DSSTox Substance ID: DTXSID80228109
• Nikkaji Number: J193.158J
• Wikidata: Q72511644
• Mol file: 774-18-5.mol

Synonyms:774-18-5;2-(2-(Trifluoromethyl)phenyl)ethanamine;o-(Trifluoromethyl)phenethylamine;2-(trifluoromethyl)phenethylamine;2-(2-Trifluoromethylphenyl)ethylamine;2-[2-(trifluoromethyl)phenyl]ethan-1-amine;2-(2-trifluoromethyl-phenyl)-ethylamine;2-(o-trifluoromethylphenyl)ethylamine;Benzeneethanamine, 2-(trifluoromethyl)-;2-[2-(trifluoromethyl)phenyl]ethanamine;2-[2-(trifluoromethyl)phenyl]ethylamine;QWY96YFJ3Y;2-(2-(trifluoromethyl)phenyl)ethan-1-amine;EINECS 212-262-5;{2-[2-(trifluoromethyl)phenyl]ethylamine;4-Amino-3-Bromobenzoic;UNII-QWY96YFJ3Y;SCHEMBL1011004;DTXSID80228109;2-(Trifluoromethyl)phenylethyl amine;CK1110;MFCD00128232;2-(Trifluoromethyl)-benzeneethanamine;AKOS000151851;2-(2-trifluoromethyl-phenyl)ethylamine;2-(2-Trifluoromethylphenyl)-ethylamine;SB38706;2-(Trifluoromethyl)benzeneethan-1-amine;AS-45829;O-(TRIFLUOROMETHYL)BENZENEETHANAMINE;CS-0100898;FT-0688508;EN300-53275;A20116;BENZENEETHANAMINE, O-(TRIFLUOROMETHYL)-;A865253;Z285143774

Chemical Property of o-(Trifluoromethyl)phenethylamine

Chemical Property:

• Vapor Pressure: 0.345mmHg at 25°C
• Boiling Point: 199.2 °C at 760 mmHg
• PKA: 9.58±0.10(Predicted)
• Flash Point: 80.4 °C
• PSA: 26.02000
• Density: 1.186 g/cm³
• LogP: 2.90690
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.07653381
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

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

2-[2-(Trifluoromethyl)phenyl]ethan-1-amine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of o-(Trifluoromethyl)phenethylamine

There total 2 articles about o-(Trifluoromethyl)phenethylamine 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: 75.0%

2-(trifluoromethyl)phenylacetonitrile (3038-47-9) → 2-(2-(trifluoromethyl)phenyl)ethan-1-amine (774-18-5)

Guidance literature:

With ammonia; hydrogen; Raney bickel; In ethanol; water; under 2068.65 Torr;

Reference yield:

→ 2-(2-(trifluoromethyl)phenyl)ethan-1-amine (774-18-5)

Guidance literature:

Reference yield: 99.1%

2-(2-(trifluoromethyl)phenyl)ethan-1-amine (774-18-5) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-N-(2-(2-(trifluoromethyl)phenyl)ethyl)acetamide (215797-90-3)

Guidance literature:

With triethylamine; In dichloromethane; at 5 - 10 ℃;

upstream raw materials:

2-(trifluoromethyl)phenylacetonitrile

Downstream raw materials:

C₁₉H₂₇F₃N₂O₃

2,2,2-trifluoro-N-(2-(2-(trifluoromethyl)phenyl)ethyl)acetamide

2-Chloro-5-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-N-[2-(2-trifluoromethyl-phenyl)-ethyl]-benzamide

C₁₀H₉F₆NO₂S

Refernces

• 1、 He, Gang,Lu, Chengxi,Zhao, Yingsheng,Nack, William A.,Chen, Gong. "Improved protocol for indoline synthesis via palladium-catalyzed intramolecular C(sp2)-H amination". supporting information; experimental part. p. 2944 - 2947. Retrieved 2012/08/28.
• 2、 -. "TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY". Page/Page column 100. . Retrieved 2010/02/07.