[3-(1-Piperidinylsulfonyl)phenyl]boronic acid

Basic Information

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CAS Number

690662-96-5

Molecular Formula

C11H16BNO4S

Molecular Weight

269.13 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

166-168℃

SMILES

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B(C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)(O)O

InChI

InChI=1S/C11H16BNO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9,14-15H,1-3,7-8H2

InChIKey

HQOWPGGTRBFYFE-UHFFFAOYSA-N

LogP

-0.4590000000000003

Topological Polar Surface Area

77.84 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

362

Synonyms & References

English

3-(piperidin-1-ylsulfonyl)phenylboronic acid, AldrichCPR
3-(PIPERIDIN-1-YLSULFONYL)PHENYLBORONIC ACID
BS-24442
(3-piperidin-1-ylsulfonylphenyl)boronic acid
3-(1-Piperidinylsulfonyl)phenylboronic Acid
Boronic acid, [3-(1-piperidinylsulfonyl)phenyl]-
CS-0175336
3-(piperidin-1-ylsulfonyl)phenylboronic acid;3-(1-Piperidinylsulfonyl)phenylboronic Acid
(3-(Piperidin-1-ylsulfonyl)phenyl)boronicacid
AC6633
SCHEMBL3915596
DTXSID50463828
SY026552
MFCD07783850
A853955
690662-96-5
AKOS015854223
(3-(Piperidin-1-ylsulfonyl)phenyl)boronic acid
3-(1-Piperidinylsulfonyl)benzeneboronic acid

MDL Number

MFCD07783850

Customs Code

2935009090

FAQ

What are the physical and chemical properties of [3-(1-Piperidinylsulfonyl)phenyl]boronic acid (CAS: 690662-96-5)?

[3-(1-Piperidinylsulfonyl)phenyl]boronic acid is a crystalline compound with a molecular weight of approximately 328.34 g/mol. It has a relatively low solubility in water but is soluble in organic solvents like DMSO and DMF. It is moderately reactive and can participate in various organometallic reactions. This compound is stable under normal conditions but may degrade at high temperatures or in the presence of strong acids or bases.

How is [3-(1-Piperidinylsulfonyl)phenyl]boronic acid (CAS: 690662-96-5) typically synthesized?

[3-(1-Piperidinylsulfonyl)phenyl]boronic acid is typically synthesized by the reaction of 3-halophenylboronic acid with 1-piperidinesulfonyl chloride in the presence of a base such as triethylamine or diisopropylethylamine. The reaction is carried out at room temperature and yields the compound with good selectivity and high purity.

What industries use [3-(1-Piperidinylsulfonyl)phenyl]boronic acid (CAS: 690662-96-5)?

[3-(1-Piperidinylsulfonyl)phenyl]boronic acid is used in the pharmaceutical industry for designing and synthesizing complex molecules. It is also used in the polymer industry for the modification of polymers, and in the sensor industry for developing chemical sensors. Additionally, it has potential applications in the semiconductor industry for the production of electronic materials.

What precautions should be taken when handling [3-(1-Piperidinylsulfonyl)phenyl]boronic acid (CAS: 690662-96-5)?

When handling [3-(1-Piperidinylsulfonyl)phenyl]boronic acid, it is important to wear protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the compound. Spills should be cleaned up immediately with appropriate absorbents, and the area should be ventilated. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.