ChemicalBook--->CAS DataBase List--->69696-35-1

69696-35-1

69696-35-1 Structure

69696-35-1 Structure
IdentificationBack Directory
[Name]

5-Bromo-4-chloro-2,6-dimethylpyrimidine
[CAS]

69696-35-1
[Synonyms]

4-Chloro-5-bromo-2,6-dimethylpyrimidine
5-Bromo-4-chloro-2,6-dimethylpyrimidine
Pyrimidine, 5-bromo-4-chloro-2,6-dimethyl-
[Molecular Formula]

C6H6BrClN2
[MDL Number]

MFCD13705450
[MOL File]

69696-35-1.mol
[Molecular Weight]

221.48
Chemical PropertiesBack Directory
[Melting point ]

45 °C
[Boiling point ]

264.9±35.0 °C(Predicted)
[density ]

1.621±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

-0.23±0.39(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H319-H315-H302
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-4-chloro-2,6-dimethylpyrimidine(69696-35-1)1HNMR
5-Bromo-4-chloro-2,6-dimethylpyrimidine(69696-35-1)13CNMR
5-Bromo-4-chloro-2,6-dimethylpyrimidine(69696-35-1)IR1
5-Bromo-4-chloro-2,6-dimethylpyrimidine(69696-35-1)IR2
Hazard InformationBack Directory
[Synthesis]

5-broMo-2,6-diMethylpyriMidin-4-ol

858269-28-0

5-Bromo-4-chloro-2,6-dimethylpyrimidine

69696-35-1

(b) Synthesis of 5-bromo-4-chloro-2,6-dimethylpyrimidine. 5-Bromo-2,6-dimethylpyrimidin-4-ol (3.95 g, 19.45 mmol) was mixed with phosphorochloridic acid (6 mL, 64.4 mmol) and heated to reflux for 3 h at 110 °C. The reaction was carried out at a pressure of 1.5 °F. Upon completion of the reaction, the reaction solution was concentrated under reduced pressure, followed by the slow and careful addition of ice water to precipitate a white precipitate. The solid was collected by filtration, washed thoroughly with cold water and dried to afford the target product 5-bromo-4-chloro-2,6-dimethylpyrimidine (2.73 g, 63% yield). The product was analyzed by LCMS (ES+), m/e 221 [M+H]+.

[References]

[1] Patent: WO2013/96151, 2013, A1. Location in patent: Page/Page column 131
[2] Patent: US2016/176882, 2016, A1. Location in patent: Paragraph 0346; 0348
[3] Patent: WO2017/221092, 2017, A1. Location in patent: Paragraph 00202
[4] Patent: WO2017/221100, 2017, A1. Location in patent: Paragraph 00160
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