Phenol, 4-[[4-(1-methylethoxy)phenyl]sulfonyl]-


Chemical Name: Phenol, 4-[[4-(1-methylethoxy)phenyl]sulfonyl]-
CAS Number: 95235-30-6
Product Number: AG005SNX(AGN-PC-0MVFOD)
Synonyms:
MDL No: MFCD01861244
Molecular Formula: C15H16O4S
Molecular Weight: 292.3501

Identification/Properties


Properties
MP:
127-129°C
BP:
478.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
292.349g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
292.077g/mol
Monoisotopic Mass:
292.077g/mol
Topological Polar Surface Area:
72A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
383
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-((4-Isopropoxyphenyl)sulfonyl)phenol, or $name$, is a versatile compound widely utilized in chemical synthesis as a key building block for the development of various pharmaceuticals, agrochemicals, and materials. In organic synthesis, it serves as a valuable intermediate due to its unique structure and reactivity. The sulfonyl group enhances the compound's nucleophilicity and stability, making it a valuable reagent in complex organic transformations.One of the key applications of $name$ in chemical synthesis is as a sulfonation agent in aromatic chemistry. Its phenolic hydroxyl group can undergo sulfonation reactions, leading to the formation of sulfonated derivatives that are crucial in the synthesis of dyes, pigments, and pharmaceuticals. Additionally, the presence of the isopropoxy group provides steric hindrance, influencing the regioselectivity of the sulfonation process.Moreover, $name$ can participate in transition metal-catalyzed cross-coupling reactions, such as Suzuki-Miyaura coupling, to create biaryl compounds with diverse substitution patterns. This enables the introduction of aryl groups at specific positions on the phenol ring, allowing for the fine-tuning of molecular properties and bioactivity in drug discovery and materials science.Furthermore, the sulfonyl functional group in $name$ can act as a protecting group for phenolic hydroxyl moieties during chemical transformations, ensuring selective reactions at desired sites within a molecule. This protective role is essential in multistep synthesis strategies, where the precise manipulation of functional groups is paramount to achieving high yields and purity in the final product.