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2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid

2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid

Inquiry

Molecular Formula:

C17H14BClO3

Molecular Weight:

312.6

CAS Number:

1072951-65-5

Catalog Number:

1072951-65-5

Product Information

Molecular Formula:

C17H14BClO3

Molecular Weight:

312.6

Description

2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid is a boronic acid derivative used in biomedical research. Its primary application lies in the synthesis of pharmaceuticals targeting cardiovascular diseases and various forms of cancer, enhancing drug efficiency and specificity.

Synonyms

[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronicacid; 2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronicacid; 1072951-65-5; 2-[(4-Chloro-1-naphthyloxy)methyl]phenylboronicacid; 662054_ALDRICH; SCHEMBL2558478

IUPAC Name

[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC=CC=C1COC2=CC=C(C3=CC=CC=C32)Cl)(O)O

InChI

InChI=1S/C17H14BClO3/c19-16-9-10-17(14-7-3-2-6-13(14)16)22-11-12-5-1-4-8-15(12)18(20)21/h1-10,20-21H,11H2

InChI Key

IAOBABROWUQOMY-UHFFFAOYSA-N

Melting Point

215 °C (dec.)

Flash Point

Not applicable

Purity

95%

Appearance

White to tan powder or crystals

Storage

2-8°C

Safety Information

Hazards

H413

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

312.0724522 g/mol

Monoisotopic Mass

312.0724522 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

355

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-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	2010-04-16

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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