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4-(Trifluoromethoxy)phenylboronic acid pinacol ester

4-(Trifluoromethoxy)phenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C13H16BF3O3

Molecular Weight:

288.07

CAS Number:

474709-28-9

Catalog Number:

474709-28-9

Product Information

Molecular Formula:

C13H16BF3O3

Molecular Weight:

288.07

Description

4-(Trifluoromethoxy)phenylboronic acid pinacol ester is a chemical compound used in biomedical research. It acts as a reagent in the synthesis of various drugs targeting diseases like cancer, diabetes, and inflammation. Its unique structure allows for efficient coupling reactions, making it valuable in medicinal chemistry. Its high purity and stability make it an ideal choice for pharmaceutical research and development.

Synonyms

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

IUPAC Name

4,4,5,5-tetramethyl-2-[4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-5-7-10(8-6-9)18-13(15,16)17/h5-8H,1-4H3

InChI Key

ZSFXWWRILASQRI-UHFFFAOYSA-N

Melting Point

60-65 °C

Purity

97%

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

288.1144590 g/mol

Monoisotopic Mass

288.1144590 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

333

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-112341390-A	Compound for preparing targeted histone methyltransferase EZH2 covalent inhibitor and preparation method and application thereof	2019-08-07
US-2020206216-A1	Inhibitors of fibroblast activation protein	2018-12-21
CN-113811529-A	Fibroblast activation protein inhibitor	2018-12-21
JP-2022514352-A	Inhibitor of fibroblast-activated protein	2018-12-21
CN-110903289-A	Purine-aminomethyl-pyridone derivative, preparation method and application thereof	2018-09-14
WO-2015143142-A1	Antifungal compound process	2014-03-19
DE-102013020566-A1	Liquid crystalline medium	2012-12-20
EP-2935514-B1	Liquid crystal medium	2012-12-20
US-2015315472-A1	Liquid-crystalline medium	2012-12-20
US-9376622-B2	Liquid-crystalline medium	2012-12-20

Literatures

PMID	Publication Date	Title	Journal
4893	1975-11-01	Clinical experience with beta-blockers in consultant psychiatric practice	Scottish medical journal

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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