1215074-49-9 | Methyl 3-fluoro-4-(methylsulfonyl)benzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$123.00	$86.00
5g	95%	in stock	$465.00	$325.00
25g	95%	in stock	$1,412.00	$989.00

Description

• Catalog Number: AA53081
• Chemical Name: Methyl 3-fluoro-4-(methylsulfonyl)benzoate
• CAS Number: 1215074-49-9
• Molecular Formula: C9H9FO4S
• Molecular Weight: 232.2288
• MDL Number: MFCD15143295
• SMILES: COC(=O)c1ccc(c(c1)F)S(=O)(=O)C

Computed Properties

• Complexity: 333
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• XLogP3: 1.1

Upstream Synthesis Route

Methyl 3-fluoro-4-(methylsulfonyl)benzoate is a versatile compound that finds applications in various chemical synthesis processes. This compound serves as a building block in the synthesis of organic molecules and pharmaceutical intermediates. Its unique structure enables it to participate in a range of chemical reactions, making it a valuable tool for organic chemists.One notable application of Methyl 3-fluoro-4-(methylsulfonyl)benzoate is its use in the preparation of fluorinated compounds. The presence of the fluoro group in its structure allows for the introduction of fluorine atoms into organic molecules through substitution or addition reactions. Fluorinated compounds are of great interest in medicinal chemistry, as fluorine substitution can enhance the bioactivity and metabolic stability of drug candidates.Furthermore, Methyl 3-fluoro-4-(methylsulfonyl)benzoate can also be employed in the synthesis of sulfone-containing organic compounds. The methylsulfonyl group in its structure serves as a masked sulfonylating agent that can be selectively activated under specific reaction conditions. This enables the controlled introduction of the sulfonyl group into target molecules, facilitating the construction of complex organic frameworks with sulfone functionalities.Overall, Methyl 3-fluoro-4-(methylsulfonyl)benzoate is a valuable reagent in chemical synthesis, offering unique opportunities for the construction of diverse organic structures with fluorine and sulfone moieties. Its versatility and reactivity make it a valuable asset in the toolkit of synthetic chemists working in various fields such as pharmaceuticals, agrochemicals, and materials science.