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83410-37-1

83410-37-1 Structure

83410-37-1 Structure
IdentificationBack Directory
[Name]

2,6-DIMETHYL-5-IODO-4(3H)-PYRIMIDONE
[CAS]

83410-37-1
[Synonyms]

2,6-DIMETHYL-5-IODO-4(3H)-PYRIMIDONE
5-Iodo-2,6-diMethyl-1H-pyriMidin-4-one
5-iodo-2,6-dimethyl-4(3H)-Pyrimidinone
5-Iodo-2,6-dimethylpyrimidin-4(3h)-one
4(3H)-Pyrimidinone, 5-iodo-2,6-dimethyl-
5-iodo-2,6-dimethyl-4-pyrimidinol(SALTDATA: FREE)
[Molecular Formula]

C6H7IN2O
[MDL Number]

MFCD02081996
[MOL File]

83410-37-1.mol
[Molecular Weight]

250.04
Chemical PropertiesBack Directory
[Melting point ]

196-199 °C
[Boiling point ]

254.9±43.0 °C(Predicted)
[density ]

2.03±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[pka]

8.33±0.50(Predicted)
Hazard InformationBack Directory
[Synthesis]

2,4-DIMETHYL-6-HYDROXYPYRIMIDINE

6622-92-0

2,6-DIMETHYL-5-IODO-4(3H)-PYRIMIDONE

83410-37-1

Step A: 2,6-Dimethylpyrimidin-4-ol (5.0 g, 40 mmol) was dissolved in aqueous sodium hydroxide solution (50 mL, 1 M, 50 mmol). Iodine (10.2 g, 40 mmol) was subsequently added to this solution. The reaction mixture was slowly warmed to 80 °C and stirred continuously for 2 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the pH was adjusted with acetic acid to about 6. At this point, a precipitate appeared in the reaction mixture and the precipitate was collected by filtration. The resulting solid was washed with deionized water and dried to give the target product 5-iodo-2,6-dimethylpyrimidin-4-ol (6.51 g, 65% yield). Mass spectrometry analysis showed m/z 251.2 [M + H]+.

[References]

[1] Patent: US9617268, 2017, B2. Location in patent: Page/Page column 398
[2] Journal of Medicinal Chemistry, 1998, vol. 41, # 22, p. 4251 - 4260
[3] Tetrahedron, 2007, vol. 63, # 9, p. 1931 - 1936
[4] Patent: US5466692, 1995, A
[5] Patent: US2012/95031, 2012, A1. Location in patent: Page/Page column 160
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