4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde
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4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde
structure -
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CAS No:
148256-82-0
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Formula:
C6H5ClN2OS
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Chemical Name:
4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde
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Synonyms:
4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde;4-chloro-2-(Methylthio)pyriMidine-5-carbaldehyde;5-PyriMidinecarboxaldehyde, 4-chloro-2-(Methylthio)-;4-chloro-2-(Methylsulfanyl)pyriMidine-5-carbaldehyde
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CAS No:
4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde Basic Attributes
189
187.98100
DTXSID50731938
2933599090
4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde Use and Manufacturing
Manganese(IV) oxide, <5 micron, activated (38.1g , 439 mmol) was added to a solution of compound 223 (16.73 g, 87.8 mmol) in chloroform (800 mL). The reaction was stirred overnight, filtered through Celite, and the filtrate was concentrated in vacuo to yield compound 224 (13.7 g, 82.8percent yield). step 2: Manganese (IV) oxide (137.4 g, 1.58 mol) was added to a solution of (4-chloro-2-(methylthio)pyrimidin-5-yl)methanol (30.0 g, 0.158 mol) in DCM (1.5 L). The reaction was stirred overnight, filtered through CELITE, and the filtrate was concentrated in vacuo to give the crude product 4-chloro-2-(methylthio)pyrimidine-5-carbaldehyde as a white solid. The crude product was purified by SiO(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol (105 mmol) was dissolved in CHCl4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol (105 mmol) was dissolved in CHClTo a solution of (4-chloro-2-(methylthio)pyrimidin-5-yl)methanol (1.14 g, 6 mmol) in DCM (200 mL) was added MnOGeneral Procedure 5-2: 4-Chloro-2-(methylthio)pyrimidine-5-carbaldehyde[00195] A mixture of (4-chloro-2-(methylthio)pyrimidin-5-yl) methanol (9.0 g, 47 mmol) and activated MnO
Computed Properties
Molecular Weight:188.64
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:187.9811117
Monoisotopic Mass:187.9811117
Topological Polar Surface Area:68.2
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde
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