structure of 4,4,5,5-Tetramethyl-2-(3-(methylsulfonyl)phenyl)-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(3-(methylsulfonyl)phenyl)-1,3,2-dioxaborolane

CAS No.: 1001185-88-1
M. Wt: 282.164
M. Fa: C13H19BO4S
InChI Key: UERYNIKUFOCEAB-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1001185-88-1

CAS Number

1001185-88-1

EC Number

833-161-8

MDL Number

MFCD14584690

IUPAC Name

4,4,5,5-tetramethyl-2-(3-methylsulfonylphenyl)-1,3,2-dioxaborolane

InChI

InChI=1S/C13H19BO4S/c1-12(2)13(3,4)18-14(17-12)10-7-6-8-11(9-10)19(5,15)16/h6-9H,1-5H3

InChIKey

UERYNIKUFOCEAB-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)C

UNSPSC Code

12352100

Physical and chemical properties of 1001185-88-1

Boiling Point

440.5±37.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

282.109711

Flash Point

220.2±26.5 °C

Index of Refraction

1.518

LogP

2.47010

Molecular Formula

C13H19BO4S

Molecular Weight

282.164

PSA

60.98000

Storage condition

2-8°C

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of 1001185-88-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1001185-88-1

4,4,5,5-Tetramethyl-2-(3-(methylsulfonyl)phenyl)-1,3,2-dioxaborolane has several applications:

  • Organic Synthesis: It serves as a versatile building block in organic synthesis due to its ability to form stable carbon-boron bonds.
  • Material Science: The compound can be used in the development of new materials with specific electronic properties.
  • Pharmaceutical Chemistry: Its reactivity makes it valuable for the synthesis of complex pharmaceutical compounds.

Interaction Studies of 1001185-88-1

Interaction studies involving this compound focus on its reactivity with various substrates in palladium-catalyzed reactions. These studies help elucidate the mechanisms behind its participation in C-H borylation and Suzuki-Miyaura coupling processes. Understanding these interactions can lead to optimized reaction conditions and improved yields in synthetic applications.

Biological Activity of 1001185-88-1

While specific biological activity data for 4,4,5,5-Tetramethyl-2-(3-(methylsulfonyl)phenyl)-1,3,2-dioxaborolane is limited, compounds with similar structures often exhibit significant biological properties. For instance, boron-containing compounds have been studied for their potential anticancer activities and roles in drug delivery systems. The methylsulfonyl group may also impart properties that enhance biological interactions.

Physical sample testing spectrum (NMR) of 1001185-88-1

Physical sample testing spectrum (NMR) of 1001185-88-1