5-Methoxy-3-pyridineboronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C12H18NO3B

Molecular Weight:

235.09

CAS Number:

445264-60-8

Catalog Number:

445264-60-8

Product Information

Molecular Formula:

C12H18NO3B

Molecular Weight:

235.09

Description

5-Methoxy-3-pyridineboronic acid pinacol ester can be used: To synthesize anthracene based bis-pyridine ligand (L), which is employed in the preparation of fluorescent M2L4 type capsules (M= Pt, Zn, Pd, Cu, Ni, Co, and Mn); As a starting material in the synthesis of pyridylmethyl pyridine derivatives as potent 11β-hydroxylase (CPY11B1) inhibitors.

Synonyms

3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

IUPAC Name

3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OC

InChI

InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-10(15-5)8-14-7-9/h6-8H,1-5H3

InChI Key

HENXUFOAGXNWKH-UHFFFAOYSA-N

Boiling Point

346.3 °C at 760 mmHg

Melting Point

100-108 °C

Flash Point

Not applicable

Purity

97 %

Density

1.06 g/cm³

Appearance

Solid

LogP

1.38940

Safety Information

Precautionary Statement

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

235.1379736 g/mol

Monoisotopic Mass

235.1379736 g/mol

Topological Polar Surface Area

40.6Å²

Heavy Atom Count

Formal Charge

Complexity

267

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-2021262684-A1	METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION	2020-06-22
CN-111808057-A	Suzuki reaction using alpha-O-alkenylsulfone as electrophile and use thereof	2019-04-10
CN-111808089-A	Preparation method of drug eprogliflozin for treating diabetes or derivative thereof	2019-04-10
EP-3885348-A1	Novel tricyclic compound as irak4 inhibitor	2018-11-21
JP-2022507858-A	A novel tricyclic compound as an IRAK4 inhibitor	2018-11-21
US-2022009933-A1	Novel tricyclic compound as irak4 inhibitor	2018-11-21
US-2020039945-A1	Compounds	2018-06-20
WO-2019243491-A1	Compounds	2018-06-20
AU-2019289888-A1	Compounds	2018-06-20
BR-112020025869-A2	compounds	2018-06-20

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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