[3-(3-hydroxypropyl)phenyl]boronic acid

Inquiry

Molecular Formula:

C9H13BO3

Molecular Weight:

180.01

Product Information

Molecular Formula:

C9H13BO3

Molecular Weight:

180.01

Description

[3-(3-hydroxypropyl)phenyl]boronic acid, predominantly utilized in the realm of biomedical investigations, functions as a pivotal intermediate in the synthesis of therapeutic agents tackling a plethora of malignancies. Its noteworthy attribute is its contribution to palladium-catalysed cross-coupling reactions.

Synonyms

3-(3-HYDROXYPROPYL)PHENYLBORONIC ACID; [3-(3-hydroxypropyl)phenyl]boronic Acid; (3-(3-Hydroxypropyl)phenyl)boronic acid; Boronic acid, [3-(3-hydroxypropyl)phenyl]-; 3-(hydroxypropyl)phenylboronic acid; 3-(3-HYDROXYPROPYL)PHENYL]BORONICACID; 3-(3-HYDROXYPROPYL)BENZENEBORONIC ACID

IUPAC Name

[3-(3-hydroxypropyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)CCCO)(O)O

InChI

InChI=1S/C9H13BO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,11-13H,2,4,6H2

InChI Key

OTCBPHAZRFXGKH-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H318

Precautionary Statement

P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.0957744 g/mol

Monoisotopic Mass

180.0957744 g/mol

Topological Polar Surface Area

60.7Å²

Heavy Atom Count

Formal Charge

Complexity

141

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
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	2020-03-10
CN-111146496-A	Polymer electrolyte and lithium ion battery containing same	2019-12-23
CN-111146496-B	Polymer electrolyte and lithium ion battery containing same	2019-12-23
WO-2020123395-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	2018-12-10
TW-202039487-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	2018-12-10
AU-2019395338-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors	2018-12-10
BR-112021010842-A2	2-Oxoquinazoline Derivatives as Methionine Adenosyltransferase 2a Inhibitors	2018-12-10
CA-3121236-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	2018-12-10
CN-113166078-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors	2018-12-10
EP-3894396-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	2018-12-10

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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[3-(3-hydroxypropyl)phenyl]boronic acid

Product Information

Safety Information

Computed Properties

Patents

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