| Identification | Back Directory | [Name]
2-METHYLSULFANYL-PYRIMIDINE-4-CARBALDEHYDE | [CAS]
1074-68-6 | [Synonyms]
4-ForMyl-2-MethylthiopyriMidine
2-(Methylthio)pyridine-4-carbaldehyde
2-(Methylthio)pyrimidine-4-carbaldehyde
2-Methylthiopyrimidine-4-carboxaldehyde
2-(Methylthio)-4-pyrimidinecarbaldehyde
2-MethylsulfanylpyriMidin-4-carbaldehyde
2-METHYLTHIO-4-PYRIMIDINE CARBOXYALDEHYDE
2-(Methylthio)-4-pyrimidinecarboxaldehyde
2-METHYLSULFANYL-PYRIMIDINE-4-CARBALDEHYDE
2-Methylthio-4-pyrimidine carboxzyaldehyde
4-PyriMidinecarboxaldehyde, 2-(Methylthio)-
2-METHYLSULFANYL-PYRIMIDINE-4-CARBALDEHYDE ISO 9001：2015 REACH | [Molecular Formula]
C6H6N2OS | [MDL Number]
MFCD02683211 | [MOL File]
1074-68-6.mol | [Molecular Weight]
154.19 |
| Chemical Properties | Back Directory | [Melting point ]
68°C | [Boiling point ]
110-112 °C(Press: 0.001 Torr) | [density ]
1.29±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
solid | [pka]
-0.87±0.23(Predicted) | [color ]
Off-white |
| Hazard Information | Back Directory | [Uses]
4-Formyl-2-methylthiopyrimidine is used in the synthesis of cytokine synthesis inhibitors. | [Synthesis]
Example 4 Synthesis of 2-(methylthio)pyrimidine-4-carboxaldehyde (4): 4-(dimethoxymethyl)-2-(methylthio)pyrimidine (3) (53.7 g, 268 mmol) was slowly added to an aqueous solution of 1.2N HCl (300 mL, 268 mmol, 1.0 eq.) at 60 °C with continuous stirring for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature and neutralized by slow addition of solid sodium bicarbonate. Subsequently, the crude product was extracted with ether (3 x 150 mL) and the combined organic layers were concentrated under reduced pressure to afford the target product 2-(methylthio)pyrimidine-4-carboxaldehyde (4) as a yellow solid (14.2 g, 34% yield).LC-MS m/z 155 (M+1). Reference: WO 2006/009734 A1, p. 67. | [References]
[1] Journal of Medicinal Chemistry, 2015, vol. 58, # 3, p. 1067 - 1088
[2] Patent: WO2016/7966, 2016, A2. Location in patent: Paragraph 0024
[3] Journal of Medicinal Chemistry, 2018,
[4] Patent: US2011/152235, 2011, A1. Location in patent: Page/Page column 67
[5] Patent: WO2011/103289, 2011, A2. Location in patent: Page/Page column 73; 74 |
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