ChemicalBook--->CAS DataBase List--->39741-46-3

39741-46-3

39741-46-3 Structure

39741-46-3 Structure
IdentificationBack Directory
[Name]

3-BROMO-5-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE
[CAS]

39741-46-3
[Synonyms]

5-Bromo-3-(chloromethyl)pyridine hydrochloride
3-Bromo-5-(chloromethyl)pyridine hydrochloride 95%
3-Bromo-5-(chloromethyl)pyridine hydrochloride 95+%
3-bromo-5-(chloromethyl)-Pyridine hydrochloride (1:1)
Pyridine, 3-bromo-5-(chloromethyl)-, hydrochloride (1:1)
[Molecular Formula]

C6H5BrClN.ClH
[MDL Number]

MFCD09260933
[MOL File]

39741-46-3.mol
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

crystalline solid
[color ]

White to off-white
[CAS DataBase Reference]

39741-46-3
Safety DataBack Directory
[Symbol(GHS) ]


GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H318
[Precautionary statements ]

P280-P305+P351+P338-P310
[Hazard Codes ]

C
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-5-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE(39741-46-3)1HNMR
3-BROMO-5-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE(39741-46-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-Bromo-3-pyridinemethanol

37669-64-0

3-BROMO-5-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE

39741-46-3

The general procedure for the synthesis of 3-bromo-5-(chloromethyl)pyridine hydrochloride from 3-bromopyridine-5-methanol was as follows: (5-bromopyridin-3-yl)methanol (XLV) (1.54 g, 8.2 mmol) was dissolved in a dioxane solution (10 mL) of 4 M HCl at 0 °C, followed by evaporation treatment. The resulting residue was dissolved in SOCl2 (4 mL) and reacted under reflux conditions for 2 hours. Upon completion of the reaction, SOCl2 was removed and the residue was ground with hexane to afford the HCl salt of 3-bromo-5-(chloromethyl)pyridine (XLVT) as a brown solid (1.30 g, 5.4 mmol, 66% yield). The product was used for subsequent experiments without further purification.ESIMS analysis showed that the product C6H5BrClN had a m/z of 206 (M + H).

[References]

[1] Patent: WO2013/40215, 2013, A1. Location in patent: Paragraph 00268
[2] Nucleosides and Nucleotides, 1994, vol. 13, # 10, p. 2345 - 2366
[3] Patent: WO2012/148808, 2012, A1. Location in patent: Page/Page column 78
[4] Patent: WO2018/75858, 2018, A1. Location in patent: Paragraph 0299; 0301
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