2-(4-TRIFLUOROMETHYL-PHENYL)-ETHYLAMINE

2-(4-TRIFLUOROMETHYL-PHENYL)-ETHYLAMINE Property

Boiling point:

210℃

Density 

1.186

refractive index 

1.4620 to 1.4660

Flash point:

86℃

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

form 

clear liquid

pka

9.49±0.10(Predicted)

color 

Colorless to Light yellow to Light orange

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6,13H2

InChIKey

HMFOBPNVAAAACP-UHFFFAOYSA-N

SMILES

C1(CCN)=CC=C(C(F)(F)F)C=C1

CAS DataBase Reference

775-00-8(CAS DataBase Reference)

Safety

RIDADR 

UN 2735 8/PG II

HazardClass 

IRRITANT

HazardClass 

8

PackingGroup 

II

HS Code 

2921490090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

H318Causes serious eye damage

Precautionary statements

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

2-(4-TRIFLUOROMETHYL-PHENYL)-ETHYLAMINE Chemical Properties,Usage,Production

Chemical Properties

2-(4-Trifluoromethylphenyl)ethylamine is colorless transparent to light yellow liquid at room temperature and pressure, slightly soluble in water, easily soluble in toluene and other organic solvents.

Uses

It is applied as an active pharmaceutical intermediate.

Synthesis

The general procedure for the synthesis of 2-(4-trifluoromethylphenyl)ethylamine from p-trifluoromethylphenylacetonitrile was as follows: (4-trifluoromethylphenyl)acetonitrile (2 g, 10.81 mmol) was dissolved in methanol-ammonia solution (50 mL), which was subsequently added to a Parr hydrogenation reactor that had been charged with nickel Nguyenay (400 mg). The reaction mixture was stirred overnight under hydrogen pressure of 50 psi. The progress of the reaction was monitored by thin layer chromatography (TLC, the unfolding agent was a chloroform solution containing 10% methanol). Upon completion of the reaction, the mixture was filtered through a bed of diatomaceous earth and the filtrate was concentrated and dried under reduced pressure to afford the target product 2-(4-trifluoromethylphenyl)ethylamine (2 g, 97.89% yield). The product was analyzed by LCMS and the purity was 98.73%, m/z = 190.0 ([M+H]+).

References

[1] Patent: WO2012/35078, 2012, A1. Location in patent: Page/Page column 67
[2] Patent: US2014/45872, 2014, A1. Location in patent: Paragraph 0403
[3] Patent: WO2004/82682, 2004, A1. Location in patent: Page 44-45
[4] Patent: WO2003/93231, 2003, A2. Location in patent: Page/Page column 48
[5] Patent: WO2005/80371, 2005, A1. Location in patent: Page/Page column 49