CAS 80360-14-1

3-Iodo-1-(phenylsulfonyl)indole

Description:

3-Iodo-1-(phenylsulfonyl)indole is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of an iodine atom at the 3-position of the indole ring introduces notable reactivity, particularly in electrophilic substitution reactions. The phenylsulfonyl group attached at the 1-position enhances the compound's solubility and stability, while also providing a site for further chemical modifications. This compound is often utilized in organic synthesis and medicinal chemistry due to its potential biological activity, including antimicrobial and anticancer properties. Its molecular structure allows for various interactions with biological targets, making it a subject of interest in drug development. Additionally, the presence of the sulfonyl group can influence the compound's electronic properties and reactivity, making it a versatile building block in synthetic chemistry. As with many halogenated compounds, appropriate safety measures should be taken when handling this substance due to potential toxicity and environmental concerns.

Formula: C₁₄H₁₀INO₂S

InChI: InChI=1/C14H10INO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H

SMILES: c1ccc(cc1)S(=O)(=O)n1cc(c2ccccc12)I

Synonyms:

• 1H-indole, 3-iodo-1-(phenylsulfonyl)-
• 3-Iodo-1-(phenylsulfonyl)-1H-indole

3-Iodo-1-(phenylsulfonyl)indole, 95%

CAS: 80360-14-1

It is used as pharmaceutical intermediate. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a

Formula: C₁₄H₁₀INO₂S

Purity: 95%

Color and Shape: Pale cream to cream, Powder

Molecular weight: 383.2

Ref: 02-H27696

3-Iodo-1-(phenylsulfonyl)-1H-indole

CAS: 80360-14-1

Formula: C₁₄H₁₀INO₂S

Purity: 97%

Color and Shape: Solid

Molecular weight: 383.2042

Ref: IN-DA003JL5

3-Iodo-1-(phenylsulfonyl)-1H-indole

CAS: 80360-14-1

3-Iodo-1-(phenylsulfonyl)-1H-indole

Purity: 97%

Molecular weight: 383.20g/mol

Ref: 54-OR310102

3-Iodo-1-(phenylsulfonyl)-1H-indole

CAS: 80360-14-1

Formula: C₁₄H₁₀INO₂S

Purity: 97%

Color and Shape: Solid

Molecular weight: 383.2

Ref: 10-F241512

3-Iodo-1-(phenylsulfonyl)indole

CAS: 80360-14-1

3-Iodo-1-(phenylsulfonyl)indole (3-ISI) is a ligand that is used to crystallize metal ions. 3-ISI binds to metal ions through interactions with the halide ion. The 3-ISI molecule has two phenylsulfonyl groups and one iodine atom, which are the sites of coordination to metal ions. Friedel-Crafts acylation reactions use 3-ISI as a ligand because it does not react with the catalyst or acid, but can be easily replaced by other ligands during the reaction. Parameters for determining its structure include X-ray crystallography, NMR spectroscopy, IR spectroscopy, and elemental analysis. The chloride anion in 3-ISI is able to form hydrogen bonds with other chloride anions in order to stabilize its structure.
3-ISI can be synthesized by reacting iodides with benzyl bromide and phosphorous pent

Formula: C₁₄H₁₀INO₂S

Purity: Min. 95%

Molecular weight: 383.21 g/mol

Ref: 3D-FDA36014