10486-51-8 | 4-Chlorosulfonyl-benzoic acid ethyl ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$129.00	$90.00
1g	95%	in stock	$169.00	$118.00

Description

• Catalog Number: AE13898
• Chemical Name: 4-Chlorosulfonyl-benzoic acid ethyl ester
• CAS Number: 10486-51-8
• Molecular Formula: C9H9ClO4S
• Molecular Weight: 248.6834
• MDL Number: MFCD00121815
• SMILES: CCOC(=O)c1ccc(cc1)S(=O)(=O)Cl

Computed Properties

• Complexity: 312
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• XLogP3: 2.8

Upstream Synthesis Route

Ethyl 4-(chlorosulfonyl)benzoate is a versatile compound widely used in chemical synthesis for its unique reactivity and functional group compatibility. This compound is particularly valued for its ability to serve as a key building block in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials.In organic synthesis, Ethyl 4-(chlorosulfonyl)benzoate can act as a valuable electrophilic reagent due to the presence of the chlorosulfonyl functional group. This reactivity enables it to participate in a range of important reactions such as nucleophilic substitutions, coupling reactions, and heterocycle formations. The chlorine atom enhances the electrophilic nature of the compound, allowing for selective and controlled reactions with nucleophilic substrates.Furthermore, the ethyl ester group in Ethyl 4-(chlorosulfonyl)benzoate provides additional flexibility in introducing this building block into various synthetic pathways. The ester group can be easily modified or cleaved under mild conditions, offering further opportunities for diversification and derivatization in organic synthesis.Overall, the application of Ethyl 4-(chlorosulfonyl)benzoate in chemical synthesis is instrumental in the creation of complex molecular structures with controlled regioselectivity and functional group tolerance. Its versatile reactivity and compatibility make it a valuable tool for the development of novel compounds with potential applications in the pharmaceutical, agricultural, and materials science industries.