4,4,5,5-Tetramethyl-2-(3-(S-methylsulfonimidoyl)phenyl)-1,3,2-dioxaborolane

Name: 4,4,5,5-Tetramethyl-2-(3-(S-methylsulfonimidoyl)phenyl)-1,3,2-dioxaborolane
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CAS No. 2845282-12-2
Cat. No. CS-0637886
Purity≥98%
MDL No.None

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4,4,5,5-Tetramethyl-2-(3-(S-methylsulfonimidoyl)phenyl)-1,3,2-dioxaborolane|CS-0637886

Structure of 2845282-12-2

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General Information

CAS No. 2845282-12-2
Cat. No. CS-0637886
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₀BNO₃S
Molecular Weight 281.18
Synonym(s) None
SMILES O=S(C1=CC(B2OC(C)(C(C)(C)O2)C)=CC=C1)(C)=N

Description

This boronate ester features a sterically protected dioxaborolane ring paired with an ortho-sulfonimidoyl-substituted phenyl group, enabling stable coupling in Suzuki-Miyaura reactions. The S-methylsulfonimidoyl moiety enhances functional group tolerance and facilitates downstream derivatization.

Application

4,4,5,5-Tetramethyl-2-(3-(S-methylsulfonimidoyl)phenyl)-1,3,2-dioxaborolane serves as a stable, bench-friendly boronate building block for Suzuki-Miyaura cross-coupling reactions. The S-methylsulfonimidoyl group enhances functional group tolerance and provides a handle for further derivatization. Its robustness under standard reaction conditions facilitates efficient C–C bond formation with aryl halides, enabling rapid access to biaryl scaffolds relevant in medicinal chemistry and materials science.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 59.38
LogP 2.02127
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4,4,5,5-Tetramethyl-2-(3-(S-methylsulfonimidoyl)phenyl)-1,3,2-dioxaborolane

CAS No. 2845282-12-2

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