CAS 22237-13-4 4-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride)

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4-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride)

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Catalog Number

ACM22237134-3

CAS Number

22237-13-4

Product Name

4-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride)

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-Ethoxybenzeneboronic Acid (contains varying amounts of Anhydride)

IUPAC Name

(4-ethoxyphenyl)boronic acid

Molecular Weight

165.98

Molecular Formula

C8H11BO3

Canonical SMILES

B(C1=CC=C(C=C1)OCC)(O)O

InChI

InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3

InChI Key

WRQNDLDUNQMTCL-UHFFFAOYSA-N

Melting Point

168 °C

Appearance

White to Light yellow powder to crystal

Application

4-Ethoxyphenylboronic Acid (which contains varying amounts of anhydride) is a versatile chemical compound primarily used in Suzuki cross-coupling reactions. This white crystalline powder serves as a reactant in the synthesis of biologically active molecules. These molecules have significant applications, including the development of novel modulators for survival motor neuron protein, potentially aiding in the treatment of spinal muscular atrophy. Additionally, it is utilized in the creation of amino-trimethoxyphenyl-aryl thiazoles, which function as microtubule inhibitors and antitumor agents. It also contributes to the synthesis of bicyclic hydroxyphenyl methanone derivatives, useful as hydroxysteroid dehydrogenase inhibitors, and supports the production of compounds with dual immunosuppressive and anti-inflammatory properties. Furthermore, 4-Ethoxyphenylboronic Acid is employed in the formation of antiproliferative agents through Suzuki cross-coupling and amination reactions.

Complexity

122

Covalently-Bonded Unit Count

Exact Mass

166.080124g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD00674028

Monoisotopic Mass

166.080124g/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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