2-Aminopyridine-5-boronic Acid Pinacol Ester

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Molecular Formula:

C11H17N2O2B

Molecular Weight:

220.08

CAS Number:

827614-64-2

Catalog Number:

827614-64-2

Product Information

Molecular Formula:

C11H17N2O2B

Molecular Weight:

220.08

Description

Substrate used in a microwave-assisted, four-component coupling process leading to amino substituted imidazopyridines.

Synonyms

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

IUPAC Name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Canonical SMILES

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

InChI

InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14)

InChI Key

YFTAUNOLAHRUIE-UHFFFAOYSA-N

Boiling Point

146 °C / 0.3 mmHg

Melting Point

131-135 °C (lit.)

Flash Point

Not applicable

Purity

97 %

Density

1.09 g/cm³

LogP

1.54420

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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

220.1383080 g/mol

Monoisotopic Mass

220.1383080 g/mol

Topological Polar Surface Area

57.4Å²

Heavy Atom Count

Formal Charge

Complexity

255

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
CN-113045582-A	PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof	2021-02-05
CZ-34975-U1	Human constitutive adrostane receptor ligands	2020-11-09
WO-2022026892-A1	Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers	2020-07-31
CN-111848629-A	mTOR/HDAC dual inhibitor and application thereof	2020-07-15
CN-111848629-B	mTOR/HDAC dual inhibitor and application thereof	2020-07-15
WO-2021252488-A1	Inhibitors of nek7 kinase	2020-06-08
JP-2021187859-A	Pharmaceutical use of heterocyclic compounds	2020-05-29
WO-2021239743-A1	Il-17a modulators	2020-05-27
WO-2021239745-A1	Il-17a modulators	2020-05-27
US-11161852-B1	Inhibitors of NEK7 kinase	2020-05-08

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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