2-Methoxy-3-(trifluoromethyl)pyridine Chemical Properties

Boiling point:

44 °C

Density 

1.297 g/mL at 25 °C

refractive index 

n20/D 1.441

Flash point:

118 °F

storage temp. 

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

solubility 

soluble in Methanol

form 

clear liquid

pka

0.97±0.10(Predicted)

color 

Colorless to Almost colorless

InChI

InChI=1S/C7H6F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4H,1H3

InChIKey

SSAZZVQVJJXPMB-UHFFFAOYSA-N

SMILES

C1(OC)=NC=CC=C1C(F)(F)F

CAS DataBase Reference

121643-44-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

T,Xi,Xn

Risk Statements 

10-25-36/37/38-20/21/22

Safety Statements 

16-26-45-36

RIDADR 

UN 1992 3/PG 3

WGK Germany 

3

HazardClass 

IRRITANT

PackingGroup 

III

HS Code 

2933399990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-Methoxy-3-(trifluoromethyl)pyridine Usage And Synthesis

storage

2-Methoxy-3-(trifluoromethyl)pyridine store at room temperature.

Uses

2-Methoxy-3-(trifluoromethyl)pyridine belongs to pyridine derivatives and can be used as pharmaceutical intermediates.

Synthesis

2-Chloro-3-trifluoromethylpyridine (3 g, 16.53 mmol) was dissolved in 30 mL of a methanol solution of sodium methanolate (5.4 M). The reaction mixture was stirred at room temperature for 48 hours. After completion of the reaction, the mixture was cooled in an ice bath and extracted three times with dichloromethane (DCM). The organic phases were combined, washed with saturated sodium chloride solution and dried over anhydrous magnesium sulfate. The organic phase was concentrated under reduced pressure to afford 2-methoxy-3-trifluoromethylpyridine as a colorless liquid (2.7 g, 89% yield). The product was characterized by 1H-NMR (400 MHz, DMSO-d6, 298 K): δ 3.98 (s, 3H), 7.2 (dd, 1H), 8.11 (d, 1H), 8.45 (d, 1H). Mass Spectrometry (MS): m/z 178.1 [M+1]+, retention time (Rt) = 1.29 min.

References

[1] Patent: WO2013/57711, 2013, A1. Location in patent: Page/Page column 45-46
[2] Patent: WO2013/88404, 2013, A1. Location in patent: Page/Page column 92
[3] Patent: US2015/342951, 2015, A1. Location in patent: Paragraph 0841-0842

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