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4-Cyanomethoxy-3,5-dimethylphenylboronic acid pinacol ester

4-Cyanomethoxy-3,5-dimethylphenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C16H22BNO3

Molecular Weight:

287.16

Product Information

Molecular Formula:

C16H22BNO3

Molecular Weight:

287.16

Description

4-Cyanomethoxy-3,5-dimethylphenylboronic acid pinacol ester is a versatile compound extensively utilized in biomedical research. It serves as a valuable reagent for the synthesis of various pharmaceutical drugs. This product finds application in the drug development of certain cancers and inflammatory diseases due to its potent inhibitory effects on specific cellular pathways.

Synonyms

2-(2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile; 2-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile; 4-Cyanomethoxy-3,5-dimethylphenylboronic acid, pinacol ester; 4-Cyanomethoxy-3,5-dimethylphenylboronic acid pinacol ester; [2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile

IUPAC Name

2-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)OCC#N)C

InChI

InChI=1S/C16H22BNO3/c1-11-9-13(10-12(2)14(11)19-8-7-18)17-20-15(3,4)16(5,6)21-17/h9-10H,8H2,1-6H3

InChI Key

JUBYKYNIXFNKIL-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

287.1692737 g/mol

Monoisotopic Mass

287.1692737 g/mol

Topological Polar Surface Area

51.5Å²

Heavy Atom Count

Formal Charge

Complexity

401

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

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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Volume _(start)

Concentration _(final)

Volume _(final)

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4-Cyanomethoxy-3,5-dimethylphenylboronic acid pinacol ester

Product Information

Computed Properties

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