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148550-51-0

148550-51-0 Structure

148550-51-0 Structure
IdentificationBack Directory
[Name]

ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE
[CAS]

148550-51-0
[Synonyms]

ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE
Ethyl 2-(Methylsulfonyl)-5-pyrimidinecarboxylate
ETHYL 2-(METHYLSULPHONYL)PYRIMIDINE-5-CARBOXYLATE
Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate 95%
2-(Methylsulfonyl)-5-pyrimidinecarboxylic acid ethyl ester
5-Pyrimidinecarboxylic acid, 2-(methylsulfonyl)-, ethyl ester
ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001:2015 REACH
[Molecular Formula]

C8H10N2O4S
[MDL Number]

MFCD07366751
[MOL File]

148550-51-0.mol
[Molecular Weight]

230.24
Chemical PropertiesBack Directory
[Boiling point ]

407.7±37.0 °C(Predicted)
[density ]

1.338±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

-4.99±0.22(Predicted)
[Appearance]

Off-white to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P261
[HS Code ]

2933399990
Hazard InformationBack Directory
[Synthesis]

2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

73781-88-1

ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE

148550-51-0

Step 2: Synthesis of ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate (121); Sulfide 120 (0.424 g, 2.14 mmol) was dissolved in dichloromethane (DCM, 9 mL), and a DCM (9 mL) solution of 3-chloroperoxybenzoic acid (mCPBA, 2.0 g) was slowly added. The reaction mixture was stirred at room temperature for 100 min. Upon completion of the reaction, the reaction was quenched with aqueous Na2S2O3, diluted with DCM and washed with saturated NaHCO3 solution. The organic phase was dried over anhydrous MgSO4, filtered and concentrated to give the target product 121 (0.374 g, 76% yield). [0726] MS: m/z 230.1 (calculated), 230.9 (measured).

[References]

[1] Synthetic Communications, 1993, vol. 23, # 6, p. 715 - 723
[2] Patent: WO2007/118137, 2007, A1. Location in patent: Page/Page column 105
[3] Chemical Biology and Drug Design, 2016, vol. 87, # 3, p. 472 - 477
[4] Patent: CN106279044, 2017, A. Location in patent: Paragraph 0026; 0030; 0070; 0071
[5] Patent: WO2012/117421, 2012, A1. Location in patent: Page/Page column 44
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