4-(Chlorosulfonyl)phenyl pivalate
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4-(Chlorosulfonyl)phenyl pivalate
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CAS No:
150374-99-5
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Formula:
C11H13ClO4S
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Chemical Name:
4-(Chlorosulfonyl)phenyl pivalate
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CAS No:
4-(Chlorosulfonyl)phenyl pivalate Use and Manufacturing
Sodium 4-hydroxybenzenesulfonate (3) (1.0 g, 0.0049 mol), Addition of a solution of DCM (6 ml) and TEA (1.0 g, 0.0098 mol) in pivaloyl chloride (0.84 g, 0.0069 mol) is carried out dropwise at 20-25 ° C. under magnetic stirring in about 5 minutes. The mixtureContinue stirring at 20-25 ° C for 2 hours while monitoring with HPLC. After completion of the reaction, DMF (0.11 g, 0.0015 mol) was added, Thionyl chloride (0.77 g, 0.0064 mol) is added dropwise at 20-25 ° C. over 15 minutes. The mixtureWhile monitoring by HPLC, Stirring is continued for 2 hours at this temperature. After completion of the reaction, The solvent was removed by evaporation under reduced pressure, Toluene (10 ml) was added, The salt was filtered off, The solvent is concentrated under reduced pressure. To the resulting residue, 5 ml of n-hexane was added, next, It was cooled to 0 ° C., The resulting suspension is filtered, Wash the product with n-hexane. 1.1 g of a pale yellow solid (81.1percent).
Computed Properties
Molecular Weight:276.74
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:276.0223078
Monoisotopic Mass:276.0223078
Topological Polar Surface Area:68.8
Heavy Atom Count:17
Complexity:369
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(Chlorosulfonyl)phenyl pivalate
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