2-[(1-Naphthyloxy)methyl]phenylboronic acid

Inquiry

Molecular Formula:

C17H15BO3

Molecular Weight:

278.1

CAS Number:

1072951-77-9

Catalog Number:

1072951-77-9

Product Information

Molecular Formula:

C17H15BO3

Molecular Weight:

278.1

Description

2-[(1-Naphthyloxy)methyl]phenylboronic acid is commonly used in pharmaceutical synthesis, specifically as a reagent in Suzuki-Miyaura cross-coupling reactions. It finds its application in the creation of organic compounds with medicinal properties, particularly anti-cancer drugs.

Synonyms

[2-(naphthalen-1-yloxymethyl)phenyl]boronicacid; 2-[(1-Naphthyloxy)methyl]phenylboronicacid; 1072951-77-9; 662062_ALDRICH; SCHEMBL15330447; CTK4A5301

IUPAC Name

[2-(naphthalen-1-yloxymethyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC=CC=C1COC2=CC=CC3=CC=CC=C32)(O)O

InChI

InChI=1S/C17H15BO3/c19-18(20)16-10-4-2-7-14(16)12-21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11,19-20H,12H2

InChI Key

QXLULGNNNOYHIY-UHFFFAOYSA-N

Melting Point

170-179 °C

Purity

91%

Appearance

White to tan powder or crystals

Safety Information

Hazards

H413

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.1114245 g/mol

Monoisotopic Mass

278.1114245 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

323

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-3285583-A1	Small molecule inhibitors of mcl-1 and uses thereof	2015-04-20
US-2016304485-A1	Small molecule inhibitors of mcl-1 and uses thereof	2015-04-20
US-9884841-B2	Small molecule inhibitors of Mcl-1 and uses thereof	2015-04-20
WO-2016172218-A1	Small molecule inhibitors of mcl-1 and uses thereof	2015-04-20
EP-3285583-B1	Small molecule inhibitors of mcl-1 and uses thereof	2015-04-20
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	2010-04-16
US-2015315127-A1	Therapeutic compounds	2009-05-05

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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