2-(BROMOACETYL)PYRIDINE HYDROBROMIDE Chemical Properties

Melting point:

205 °C

storage temp. 

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

form 

powder

color 

light brown

InChI

InChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H

InChIKey

BYKVUGZUYJUSKD-UHFFFAOYSA-N

SMILES

C1(N=CC=CC=1)C(=O)CBr.Br

CAS DataBase Reference

17570-98-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-36-22

Safety Statements 

26-36/37/39

Hazard Note 

Irritant

HS Code 

2933399990

2-(BROMOACETYL)PYRIDINE HYDROBROMIDE Usage And Synthesis

Synthesis

The general procedure for the synthesis of 2-bromo-1-(2-pyridyl)-1-acetone hydrobromide from 2-acetylpyridine was as follows: bromine (1.52 mL, 9.72 mmol) was slowly added dropwise to a 30% hydrobromide/acetic acid (12 mL) solution containing 2-acetylpyridine (3 g, 24.8 mmol) at 15 °C. After the dropwise addition was completed, the reaction mixture was warmed to 40 °C and kept stirring for 1 h. Subsequently, it was continued to be warmed to 75 °C and stirred for 1 h. The reaction mixture was then heated up to 40 °C and kept stirring for 1 h. Upon completion of the reaction, the reaction solution was cooled to 20 °C, ether (30 mL) was added and stirred at this temperature for 30 minutes. The resulting yellow precipitate was collected by filtration, and the precipitate was washed with ether (10 mL) and dried to afford the target product 2-bromo-1-(2-pyridyl)-1-acetone hydrobromide (6.81 g, 97.8% yield).

References

[1] Patent: CN105524056, 2016, A. Location in patent: Paragraph 0048; 0049; 0050
[2] Patent: WO2008/4117, 2008, A1. Location in patent: Page/Page column 85
[3] PLoS ONE, 2016, vol. 11, # 5,
[4] Patent: WO2017/17631, 2017, A2. Location in patent: Paragraph 00330
[5] Journal of Medicinal Chemistry, 2010, vol. 53, # 2, p. 787 - 797

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