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2-(2,2,2-Trimethylacetamido)pyridine-3-boronic acid pinacol ester

2-(2,2,2-Trimethylacetamido)pyridine-3-boronic acid pinacol ester

Inquiry

Molecular Formula:

C16H25BN2O3

Molecular Weight:

304.19

CAS Number:

532391-30-3

Catalog Number:

532391-30-3

Product Information

Molecular Formula:

C16H25BN2O3

Molecular Weight:

304.19

Description

2-(2,2,2-Trimethylacetamido)pyridine-3-boronic acid pinacol ester is utilized in the biomedical industry for the synthesis of various pharmaceutical compounds. Its boronic acid pinacol ester group plays a crucial role in Suzuki coupling reactions, aiding in drug development.

Synonyms

N-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]PIVALAMIDE; 2,2-DIMETHYL-N-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PROPIONAMIDE; 2-(2,2,2-TRIMETHYLACETAMIDO)PYRIDINE-3-BORONIC ACID PINACOL; 2,2-Dimethyl-N-[3-(4,4,5,5-t

IUPAC Name

2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C16H25BN2O3/c1-14(2,3)13(20)19-12-11(9-8-10-18-12)17-21-15(4,5)16(6,7)22-17/h8-10H,1-7H3,(H,18,19,20)

InChI Key

JTGWGXPOGSUYCT-UHFFFAOYSA-N

Boiling Point

465.7°C at 760 mmHg

Melting Point

155.0-155.2°C

Flash Point

Not applicable

Purity

95%

Density

1.07g/cm3

Safety Information

Hazards

H301

Precautionary Statement

P301 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

304.1958228 g/mol

Monoisotopic Mass

304.1958228 g/mol

Topological Polar Surface Area

60.4Å²

Heavy Atom Count

Formal Charge

Complexity

416

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

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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2-(2,2,2-Trimethylacetamido)pyridine-3-boronic acid pinacol ester

Product Information

Safety Information

Computed Properties

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