2-Acetylaminophenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C14H20BNO3

Molecular Weight:

261.13

CAS Number:

380430-61-5

Catalog Number:

380430-61-5

Product Information

Molecular Formula:

C14H20BNO3

Molecular Weight:

261.13

Description

2-Acetylaminophenylboronic acid pinacol ester plays an important role in drug synthesis, especially in the production of molecular structures similar to cephalosporins. Its application extends to the use of antibiotics, and is known for its significant inhibition of the proliferation of Gram-negative bacteria.

Synonyms

2'-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACETANILIDE; 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACETANILIDE; 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl); 2-ACETYLAMINOPHENYLBORONIC ACID, PINACOL

IUPAC Name

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

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)C

InChI

InChI=1S/C14H20BNO3/c1-10(17)16-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)

InChI Key

FTLANOKZIXLBML-UHFFFAOYSA-N

Boiling Point

424.2°C at 760 mmHg

Melting Point

172-176°C

Purity

98%

Density

1.07 g/cm3

Appearance

White to tan powder or crystals

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

261.1536237 g/mol

Monoisotopic Mass

261.1536237 g/mol

Topological Polar Surface Area

47.6Å²

Heavy Atom Count

Formal Charge

Complexity

341

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-2021133917-A1	Smarca inhibitors and uses thereof	2019-12-23
US-2020206216-A1	Inhibitors of fibroblast activation protein	2018-12-21
CN-113811529-A	Fibroblast activation protein inhibitor	2018-12-21
JP-2022514352-A	Inhibitor of fibroblast-activated protein	2018-12-21
CN-110506044-A	A kind of BRD4 inhibitor and its preparation and application	2017-04-13
WO-2018188660-A1	Brd4 inhibitor, preparation and application thereof	2017-04-13
US-2018166634-A1	Organic light-emitting device and compound	2016-12-14
AU-2011343712-A1	Tricyclic PI3k inhibitor compounds and methods of use	2010-12-16
AU-2011343712-B2	Tricyclic PI3k inhibitor compounds and methods of use	2010-12-16
AU-2015268776-A1	Tricyclic PI3k inhibitor compounds and methods of use	2010-12-16

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

2-Acetylaminophenylboronic acid pinacol ester

Product Information

Computed Properties

Patents

Related Products