2-(Dimethylamino)phenylboronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C14H22NO2B

Molecular Weight:

247.14

CAS Number:

832114-08-6

Catalog Number:

832114-08-6

Product Information

Molecular Formula:

C14H22NO2B

Molecular Weight:

247.14

Description

2-(Dimethylamino)phenylboronic Acid Pinacol Ester (CAS# 832114-08-6) is a useful research chemical.

Synonyms

N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

IUPAC Name

N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N(C)C

InChI

InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-9-7-8-10-12(11)16(5)6/h7-10H,1-6H3

InChI Key

MHFTXKKNHASNEZ-UHFFFAOYSA-N

Boiling Point

338.9 °C at 760 mmHg

Melting Point

50-54 °C

Flash Point

>230 °F

Purity

97 %

Density

1.01 g/cm³

Appearance

White to yellow and faint beige to beige powder or crystals

LogP

2.05180

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

247.1743591 g/mol

Monoisotopic Mass

247.1743591 g/mol

Topological Polar Surface Area

21.7Å²

Heavy Atom Count

Formal Charge

Complexity

288

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-2021041671-A1	Kras g12d inhibitors	2019-08-29
CN-113227095-A	Novel tricyclic compounds as IRAK4 inhibitors	2018-11-21
JP-2022507858-A	A novel tricyclic compound as an IRAK4 inhibitor	2018-11-21
EA-037563-B1	NEW (HETERO) ARYL-SUBSTITUTED PIPERIDINYL DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM	2016-12-28
EP-3468971-B1	New (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	2016-06-10
KR-102003532-B1	Novel (hetero) aryl-substituted-piperidinyl derivatives, methods for their preparation and pharmaceutical compositions containing them	2016-06-10
KR-20190017032-A	Novel (hetero) aryl-substituted-piperidinyl derivatives, methods for their preparation and pharmaceutical compositions containing them	2016-06-10
US-10654849-B2	(Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	2016-06-10
US-2019144449-A1	(hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	2016-06-10

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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