3-tert-Butylphenylboronic acid

Inquiry

Molecular Formula:

C10H15BO2

Molecular Weight:

178.04

Product Information

Molecular Formula:

C10H15BO2

Molecular Weight:

178.04

Description

3-tert-Butylphenylboronic acid is a compound of significant importance in the biomedical industry and finds extensive usage in the synthesis of a myriad of pharmaceuticals aimed at addressing diverse ailments. Bestowed with the remarkable attribute of boronic acid functionality, this product assumes the role of an invaluable reagent facilitating the creation of anti-cancer agents, enzyme inhibitors, and various therapeutic modalities. Its excellent reactivity and wide range of applications give it an important position in drug discovery efforts and medicinal chemistry research.

Synonyms

(3-tert-Butylphenyl)boronic acid; (3-(tert-Butyl)phenyl)boronic acid; M-T-BUTYLPHENYLBORONIC ACID; 3-tert-butylphenylboronicacid; 3-tert-Butylbenzene boronic acid; Boronic acid, [3-(1,1-dimethylethyl)phenyl]-; 3-(tert-Butyl)phenylboronic Acid; 3-t-butylphenylboronic acid; 3-t-butylphenyl boronic acid; m-tert-Butylphenylboronic acid; SCHEMBL840219; m-tert-Butylbenzene boronic acid; 3-tert-Butylphenylboronic acid

IUPAC Name

(3-tert-butylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C10H15BO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7,12-13H,1-3H3

InChI Key

OKBOGYOXEDEGOG-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302 - H318

Precautionary Statement

P280 - P301 + P312 + P330 - P305 + P351 + P338 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

178.1165099 g/mol

Monoisotopic Mass

178.1165099 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

163

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
WO-2021255698-A1	Heterocyclic compound and an organic electroluminescence device comprising the heterocyclic compound	2020-06-19
KR-20210152729-A	Compound and organic light emitting device comprising the same	2020-06-09
CN-113675350-A	Composition, organic light-emitting device including the same, display apparatus, image pickup apparatus, electronic apparatus, lighting apparatus, and moving object	2020-05-15
EP-3910045-A1	Iridium complex-containing composition, organic light emitting device having the same, display apparatus, imaging apparatus, electronic equipment, lighting apparatus, and moving body	2020-05-15
JP-2021178798-A	A composition containing an iridium complex, an organic light emitting device having the iridium complex, a display device, an image pickup device, an electronic device, a lighting device, a moving body.	2020-05-15
KR-20210141330-A	Iridium complex-containing composition, organic light emitting device having the same, display apparatus, imaging apparatus, electronic equipment, lighting apparatus, and moving body	2020-05-15
US-2021359225-A1	Iridium complex-containing composition, organic light emitting device having the same, display apparatus, imaging apparatus, electronic equipment, lighting apparatus, and moving body	2020-05-15
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	2020-03-26
US-2022081428-A1	Azaspirocycles as monoacylglycerol lipase modulators	2020-03-26
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	2020-03-10

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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