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4-(Phthalimidomethyl)phenylboronic Acid Pinacol Ester

4-(Phthalimidomethyl)phenylboronic Acid Pinacol Ester

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Molecular Formula:

C21H22NO4B

Molecular Weight:

363.21

CAS Number:

138500-87-5

Catalog Number:

138500-87-5

Product Information

Molecular Formula:

C21H22NO4B

Molecular Weight:

363.21

Description

4-(Phthalimidomethyl)phenylboronic Acid Pinacol Ester (CAS# 138500-87-5) is a useful research chemical.

Synonyms

2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione; 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione

IUPAC Name

2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22BNO4/c1-20(2)21(3,4)27-22(26-20)15-11-9-14(10-12-15)13-23-18(24)16-7-5-6-8-17(16)19(23)25/h5-12H,13H2,1-4H3

InChI Key

ZLSIUDAKDAXZRV-UHFFFAOYSA-N

Boiling Point

504 °C at 760 mmHg

Melting Point

166-171 °C

Flash Point

Not applicable

Purity

95 %

Density

1.23 g/cm³

Storage

2-8 °C

LogP

2.71990

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

363.1641883 g/mol

Monoisotopic Mass

363.1641883 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

571

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-2014188173-A1	Pyrazolopyrimidine derivatives useful as inhibitors of bruton's tyrosine kinase	2013-05-20
US-2009111994-A1	Method for The Production of Losartan	2005-02-03
US-2005118209-A1	Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides	2002-01-18

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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