tert-Butyl 4-methylbenzenesulfonate

Name: tert-Butyl 4-methylbenzenesulfonate
Brand: ChemScene
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CAS No. 4664-57-7
Cat. No. CS-0627771
Purity≥98%
MDL No.MFCD22683743

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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tert-Butyl 4-methylbenzenesulfonate|CS-0627771

Structure of 4664-57-7

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Description

tert-Butyl 4-methylbenzenesulfonate serves as a robust sulfonate ester for late-stage functionalization, featuring a sterically shielded tert-butyl group that enhances stability and minimizes side reactions. The para-methylbenzenesulfonyl moiety imparts favorable solubility and reactivity in polar aprotic media, enabling efficient coupling under mild conditions.

Application

tert-Butyl 4-methylbenzenesulfonate serves as a robust sulfonate ester for C–O bond formation, enabling efficient coupling in nucleophilic substitution reactions. Its stability under ambient conditions and compatibility with diverse functional groups make it a practical choice for late-stage derivatization. The tert-butyl moiety facilitates straightforward deprotection under mild acidic conditions, offering convenient access to the corresponding phenol.

General Information

CAS No. 4664-57-7
Cat. No. CS-0627771
Purity ≥98%
MDL No. MFCD22683743
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₆O₃S
Molecular Weight None
Synonym(s) None
SMILES O=S(C1=CC=C(C)C=C1)(OC(C)(C)C)=O

Computational Chemistry Data

TPSA 43.37
LogP 2.49882
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl 4-methylbenzenesulfonate

CAS No. 4664-57-7

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