ChemicalBook CAS DataBase List 1-METHYLCYTOSIN

1-METHYLCYTOSIN synthesis

12synthesis methods

Product Name:1-METHYLCYTOSIN
CAS Number:1122-47-0
Molecular formula:C5H7N3O
Molecular Weight:125.13

Methanimidamide, N'-(1,2-dihydro-1-methyl-2-oxo-4-pyrimidinyl)-N,N-dimethyl-

77738-01-3

1122-47-0

4-N-(N,N-dimethylaminomethylene)-1-methylcytosine (1.0 g, 5.5 mmol) was added to a 100 mL round bottom flask equipped with a magnetic stirrer along with an ethanol solution (50 mL) containing 30% methylamine. The reaction mixture was stirred at room temperature for 12 hours. Upon completion of the reaction, the precipitated white solid was collected by filtration and purified by recrystallization using ethanol-water solvent mixture. 4-Amino-1-methylpyrimidin-2(1H)-one was finally obtained as a white solid (0.61 g, 88% yield). The structure of the product was analyzed by 1H NMR (400 MHz, DMSO-d6): δ3.31 (s, 3H), 5.59 (d, 1H), 6.91 (br, 2H), 7.54 (d, 1H); 13C NMR (100 MHz, DMSO-d6): δ6.6, 92.9, 146.6, 156.3, 166.1; mass spectrometry (ES+) ) analysis: calculated value C5H7N3O+ (M+H+) 126.0662, measured value 126.0804 confirmed.

Ethanamine, N-[(3,5-dichlorophenyl)methylene]-2,2-diethoxy-

1000210-73-0
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1122-47-0
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Yield: 88%

Reaction Conditions:

with methylamine in ethanol for 12 h;

Steps:

1.1
4-N-(N,N-dimethyl-aminomethylene)-1-methylcytosine (1.0 g, 5.5 mmol) and ethanol solution (50 mL) containing 30% methylamine were added in 100 mL mad apple-type flask with a magnetic stirrer and the mixture was allowed to stir for 12 hr. The precipitated white solids were collected, and recrystallized in ethanol-water mixture. The object was obtained as white solids (0.61 g, yield, 88%). ¹H NMR (400 MHz, DMSO-d6):3.31 (s, 3H), 5.59 (d, 1H), 6.91 (br, 2H), 7.54 (d, 1H) ¹³C NMR (100 MHz, DMSO-d6):δ6.6, 92.9, 146.6, 156.3, 166.1; MS (ES1⁺) calcd for C₅H₇N₃O+(M+H⁺) 126.0662, found 126.0804.

References:

Kataoka, Masanori US2010/36108, 2010, A1 Location in patent:Page/Page column 4-5

71-30-7 Synthesis