2-ISOBUTOXY-5-METHYLPHENYLBORONIC ACID

Inquiry

Molecular Formula:

C11H17BO3

CAS Number:

870778-94-2

Catalog Number:

870778-94-2

Product Information

Molecular Formula:

C11H17BO3

Description

2-ISOBUTOXY-5-METHYLPHENYLBORONIC ACID is a crucial compound used in biomedicine and is employed as a reagent in organic synthesis and pharmaceutical research. Its exceptional properties make it an effective tool for developing potential drugs to address various diseases, including cancer and diabetes.

Synonyms

(2-Isobutoxy-5-methylphenyl)boronic acid; [5-Methyl-2-(2-methylpropoxy)phenyl]boronic acid; (2-Isobutoxy-5-methylphenyl)boronicacid

IUPAC Name

[5-methyl-2-(2-methylpropoxy)phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C11H17BO3/c1-8(2)7-15-11-5-4-9(3)6-10(11)12(13)14/h4-6,8,13-14H,7H2,1-3H3

InChI Key

DJGCEUCMCLMRKN-UHFFFAOYSA-N

Purity

95%

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

208.1270746 g/mol

Monoisotopic Mass

208.1270746 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

185

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
AU-2016255424-A1	Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators	2015-04-29
CA-2984290-A1	Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators	2015-04-29
EP-3288936-A1	Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators	2015-04-29
EP-3288936-B1	Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators	2015-04-29
JP-2018514547-A	Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators	2015-04-29
KR-20170141767-A	Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators	2015-04-29
US-10611730-B2	Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators	2015-04-29
US-2019092735-A1	Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators	2015-04-29
WO-2016176449-A1	Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators	2015-04-29
AU-2016255424-B2	Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators	2015-04-29

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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