CAS 159191-56-7 4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)

NAVIGATION

4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)

PRICE INQUIRY

Catalog Number

ACM159191567-6

CAS Number

159191-56-7

Product Name

4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)

Structure

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-(tert-Butyldimethylsilyloxy)benzeneboronic Acid (contains varying amounts of Anhydride)

IUPAC Name

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid

Molecular Weight

252.19

Molecular Formula

C12H21BO3Si

Canonical SMILES

B(C1=CC=C(C=C1)O[Si](C)(C)C(C)(C)C)(O)O

InChI

InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3

InChI Key

NVHHEADQQACSCJ-UHFFFAOYSA-N

Melting Point

207 °C

Appearance

White to Almost white powder to crystal

Application

4-(tert-Butyldimethylsilyloxy)phenylboronic acid, which includes varying amounts of anhydride, serves as a versatile reactant in a variety of chemical reactions. It is employed in asymmetric addition reactions with β-substituted cyclic enones and facilitates hydroarylation and heterocyclization with phenylpropiolates, as well as double Suzuki-Miyaura coupling reactions. This compound is also used as a starting material for synthesizing red electroluminescent polyfluorenes. Additionally, it plays a crucial role in the synthesis of biologically active molecules, such as phenylpyridone derivatives that act as MCH1R antagonists, atromentin and its O-alkylated derivatives, and inhibitors of gelatinases and MT1-MMP.

Complexity

243

Covalently-Bonded Unit Count

Exact Mass

252.135301g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD03093888

Monoisotopic Mass

252.135301g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

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