2-(Dimethylamino)phenylboronic Acid Pinacol Ester
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
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
247.1743591 g/mol
Monoisotopic Mass
247.1743591 g/mol
Topological Polar Surface Area
21.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
288
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
