1-(2-Trifluoromethylphenyl)ethylamine

Base Information

• Chemical Name: 1-(2-Trifluoromethylphenyl)ethylamine
• CAS No.: 273384-78-4
• Molecular Formula: C₉H₁₀F₃N
• Molecular Weight: 189.18
• Hs Code.: 2921499090
• European Community (EC) Number: 696-082-6
• DSSTox Substance ID: DTXSID20382092
• Mol file: 273384-78-4.mol

Synonyms:1-(2-Trifluoromethylphenyl)ethylamine;273384-78-4;1-[2-(trifluoromethyl)phenyl]ethanamine;1-(2-(Trifluoromethyl)phenyl)ethanamine;(RS)-1-[2-(Trifluoromethyl)phenyl]ethylamine;1-(2-(trifluoromethyl)phenyl)ethan-1-amine;MFCD04038876;1-[2-(trifluoromethyl)phenyl]ethan-1-amine;Benzenemethanamine, a-methyl-2-(trifluoromethyl)-;1-(2-(Trifluoromethyl)phenyl)ethylamine;1-[2-(Trifluoromethyl)phenyl]ethylamine;Benzenemethanamine, alpha-methyl-2-(trifluoromethyl)-, (alphaS)-;Benzenemethanamine, alpha-methyl-2-(trifluoromethyl)-, (alphaR)-;SCHEMBL1258401;2-(1-Aminoethyl)benzotrifluoride;DTXSID20382092;AKOS000128980;AKOS017343119;AB90245;AC-2674;1-(2-Trifluoromethyl-phenyl)-ethylamine;AS-31037;SY002509;CS-0154087;FT-0605128;FT-0605297;FT-0690511;EN300-52738;J-502333;(R,S)-1-[2-(trifluoromethyl)phenyl]ethylamine, AldrichCPR

Chemical Property of 1-(2-Trifluoromethylphenyl)ethylamine

Chemical Property:

• Boiling Point: 196.3 °C at 760 mmHg
• Flash Point: 78.8 °C
• PSA: 26.02000
• Density: 1.18 g/cm³
• LogP: 3.42540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: at 25 deg C (mg/L): 4087
• 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% ^*data from raw suppliers

1-(2-Trifluoromethylphenyl)ethylamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1C(F)(F)F)N

Technology Process of 1-(2-Trifluoromethylphenyl)ethylamine

There total 21 articles about 1-(2-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: 90.0%

(S)-1-phenyl-N-((S)-1-(2-(trifluoromethyl)phenyl)ethyl)ethanamine (444643-02-1) → (S)-α-(o-(trifluoromethyl)phenyl)ethylamine (127733-39-5,273384-78-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 60 ℃; for 24h; under 11251.1 Torr; optical yield given as %ee;

DOI:10.1002/adsc.201100250

Reference yield: 70.0%

(S)-1-(2-(trifluoromethyl)phenyl)ethan-1-amine hydrochloride (865815-09-4) → (S)-α-(o-(trifluoromethyl)phenyl)ethylamine (127733-39-5,273384-78-4)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 1h;

Reference yield: 53.0%

1-(2-(trifluoromethyl)phenyl)ethan-1-one (17408-14-9) → α-methyl-2-trifluoromethylbenzylamine (273384-78-4)

Guidance literature:

1-(2-(trifluoromethyl)phenyl)ethan-1-one; With titanium(IV) isopropylate; ammonia; In isopropyl alcohol; at 20 ℃;

With sodium tetrahydroborate; In isopropyl alcohol; at 20 ℃; for 2h;

DOI:10.1002/chir.22856

upstream raw materials:

1-(2-(trifluoromethyl)phenyl)ethan-1-one

o-(trifluoromethyl)acetophenone O-methyloxime

C₁₆H₁₄F₃N

C₁₆H₁₆F₃N

Downstream raw materials:

(S)-2,2,2-trifluoro-N-(1-(2-(trifluoromethyl)phenyl)ethyl)acetamide

C₃₇H₃₇F₃N₆O₃S

Refernces

• 1、 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.
• 2、 Nugent, Thomas C.,Marinova, Sofiya M.. "Step-efficient access to chiral primary amines". . p. 153 - 166. Retrieved 2013/02/25.