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17570-98-8

17570-98-8 Structure

17570-98-8 Structure
IdentificationMore
[Name]

2-(BROMOACETYL)PYRIDINE HYDROBROMIDE
[CAS]

17570-98-8
[Synonyms]

2-BROMO-1-(2-PYRIDINYL)-1-ETHANONE HYDROBROMIDE
2-BROMO-1-PYRIDIN-2-YL-ETHANONE HYDROBROMIDE
2-(BROMOACETYL)PYRIDINE HYDROBROMIDE
BUTTPARK 32\08-51
TIMTEC-BB SBB005581
2-(2-BROMOACETYL)PYRIDINE HYDROBROMIDE
[Molecular Formula]

C7H7Br2NO
[MDL Number]

MFCD02181196
[Molecular Weight]

280.94
[MOL File]

17570-98-8.mol
Chemical PropertiesBack Directory
[Melting point ]

205 °C
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

powder
[color ]

light brown
[Detection Methods]

HPLC
[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)
[Storage Precautions]

Store under inert gas
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

2-(BROMOACETYL)PYRIDINE HYDROBROMIDE(17570-98-8)1HNMR
2-(BROMOACETYL)PYRIDINE HYDROBROMIDE(17570-98-8)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-bromo-1-(2-pyridinyl)-1-ethanone hydrobromide(17570-98-8)
Hazard InformationBack Directory
[Synthesis]

2-Acetylpyridine

1122-62-9

2-(BROMOACETYL)PYRIDINE HYDROBROMIDE

17570-98-8

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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