1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Basic Information

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CAS Number

870717-93-4

Molecular Formula

C20H22BNO4S

Molecular Weight

383.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

120-125 °C

Boiling Point

556.4°C at 760 mmHg

Density

1.21

Flash Point

290.3°C

Refractive Index

1.585

SMILES

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CC1(C)C(C)(C)OB(C2=CN(S(=O)(C3=CC=CC=C3)=O)C4=C2C=CC=C4)O1

InChI

InChI=1S/C20H22BNO4S/c1-19(2)20(3,4)26-21(25-19)17-14-22(18-13-9-8-12-16(17)18)27(23,24)15-10-6-5-7-11-15/h5-14H,1-4H3

InChIKey

OMZLHWZHHPAZPW-UHFFFAOYSA-N

LogP

3.177500000000002

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Synonyms & References

English

1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
1-(Phenylsulfonyl)-3-indoleboronic acid pinacol ester
1H-Indole,1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1-(benzenesulfonyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

MDL Number

MFCD08276778

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 870717-93-4)?

1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is a crystalline compound with a molecular weight of approximately 404.35 g/mol. It has limited aqueous solubility. This compound is reactive towards nucleophiles and can undergo various chemical transformations. It is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 870717-93-4) typically synthesized?

1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole can be synthesized using a Suzuki coupling reaction. The key steps involve the formation of the boronic acid ester, followed by its coupling with the phenylsulfonyl indole. Common catalysts include palladium(0) complexes, and the reaction typically proceeds with good yield under mild conditions.

What industries use 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 870717-93-4)?

1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole finds applications in the pharmaceutical and fine chemical industries. It is used as an intermediate in the synthesis of drugs and as a building block for functional materials. Its unique structure allows for its use in developing new materials and pharmaceuticals.

What precautions should be taken when handling 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS: 870717-93-4)?

When handling 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately with an appropriate absorbent material, followed by thorough ventilation. Refer to the material safety data sheet (MSDS) for detailed safety information and emergency procedures.