structure of Tert-butylboronic acid pinacol ester

Tert-butylboronic acid pinacol ester

CAS No.: 99810-76-1
M. Wt: 184.083
M. Fa: C10H21BO2
InChI Key: ZQEPUUOQJIWIFJ-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of Tert-butylboronic acid pinacol ester

CAS Number

99810-76-1

EC Number

812-430-3

MDL Number

MFCD06657801

IUPAC Name

2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI

InChI=1S/C10H21BO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11/h1-7H3

InChIKey

ZQEPUUOQJIWIFJ-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C(C)(C)C

UNSPSC Code

12352100

Physical and chemical properties of Tert-butylboronic acid pinacol ester

Boiling Point

186.5±9.0 °C at 760 mmHg

Density

0.9±0.1 g/cm3

Exact Mass

184.163467

Flash Point

66.6±18.7 °C

Index of Refraction

1.419

LogP

2.87870

Molecular Formula

C10H21BO2

Molecular Weight

184.083

PSA

18.46000

Storage condition

2-8°C

Vapour Pressure

0.9±0.3 mmHg at 25°C

Safety Information of Tert-butylboronic acid pinacol ester

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of Tert-butylboronic acid pinacol ester

Tert-butylboronic acid pinacol ester finds applications in various fields:

  • Organic Synthesis: It is widely used as a reagent for synthesizing complex organic molecules, particularly in pharmaceutical development.
  • Material Science: The compound can be utilized in developing new materials with unique properties due to its boron content.
  • Biotechnology: Its role as a biochemical tool for labeling and detecting biomolecules enhances its utility in proteomics and other biological studies.

Interaction Studies of Tert-butylboronic acid pinacol ester

Interaction studies involving tert-butylboronic acid pinacol ester focus on its reactivity with various substrates and biological molecules. Research indicates that it can selectively bind to certain functional groups, facilitating further chemical transformations. Its interactions are crucial for understanding its role in synthetic pathways and biological applications.

Biological Activity of Tert-butylboronic acid pinacol ester

While tert-butylboronic acid pinacol ester is primarily recognized for its synthetic utility, it also exhibits some biological activities. It has been studied for its potential role in proteomics research, particularly in the labeling and detection of biomolecules. The compound's ability to interact with specific biological targets makes it a valuable tool in biochemical assays.

Physical sample testing spectrum (NMR) of Tert-butylboronic acid pinacol ester

Physical sample testing spectrum (NMR) of Tert-butylboronic acid pinacol ester

Retrosynthesis analysis of Tert-butylboronic acid pinacol ester

  • Route#1

    Cas:61676-62-8
    Cas:99810-76-1
  • Route#2

    Cas:2259-30-5
    Cas:25015-63-8
    Cas:99810-76-1
  • Route#3

    Cas:76-09-5
    Cas:80041-89-0
    Cas:99810-76-1