2-Acetoxyphenylboronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C14H19O4B

Molecular Weight:

262.11

CAS Number:

480424-68-8

Catalog Number:

480424-68-8

Product Information

Molecular Formula:

C14H19O4B

Molecular Weight:

262.11

Description

2-Acetoxyphenylboronic Acid Pinacol Ester (CAS# 480424-68-8) is a useful research chemical.

Synonyms

acetic acid [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] ester; [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate

IUPAC Name

[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(=O)C

InChI

InChI=1S/C14H19BO4/c1-10(16)17-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3

InChI Key

KFBOKXXUJHAZIH-UHFFFAOYSA-N

Boiling Point

358.9 °C at 760 mmHg

Melting Point

47-51 °C (lit.)

Flash Point

230.0 °F - closed cup

Density

1.08 g/cm³

LogP

1.91110

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.1376392 g/mol

Monoisotopic Mass

262.1376392 g/mol

Topological Polar Surface Area

44.8Å²

Heavy Atom Count

Formal Charge

Complexity

337

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
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05
EP-2376491-B1	Pyrrolotriazines as alk and jak2 inhibitors	2008-12-19
US-2012028919-A1	Pyrrolotriazines as alk and jak2 inhibitors	2008-12-19
US-8471005-B2	Pyrrolotriazines as ALK and JAK2 inhibitors	2008-12-19
JP-2009534458-A	Amino-ethyl-amino-aryl (AEAA) compounds and their use	2006-04-26

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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