2,2,6,6-Tetramethyl-1,2,3,6-tetrahydro-4-pyridineboronic acid pinacol ester

Product Information

Molecular Formula:
C15H28BNO2
Molecular Weight:
265.20
Description
2,2,6,6-Tetramethyl-1,2,3,6-tetrahydro-4-pyridineboronic acid pinacol ester is a multifunctional reagent in medicinal chemistry, used for drug synthesis and research on cancer and neurological diseases and diseases such as heart disease. Its boronic ester group enables Suzuki-Miyaura cross-coupling reactions.
Synonyms
(2,2,6,6-Tetramethyl-3,6-dihydro-2H-pyridin-4-yl)boronic acid pinacol ester
IUPAC Name
2,2,6,6-tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(NC(C2)(C)C)(C)C
InChI
InChI=1S/C15H28BNO2/c1-12(2)9-11(10-13(3,4)17-12)16-18-14(5,6)15(7,8)19-16/h9,17H,10H2,1-8H3
InChI Key
YYVIRFZZNQUTKP-UHFFFAOYSA-N
Melting Point
95-100 °C
Flash Point
Not applicable
Purity
97%
Storage
2-8°C

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
265.2213093 g/mol
Monoisotopic Mass
265.2213093 g/mol
Topological Polar Surface Area
30.5Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
394
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
US-2022009906-A1 Isoindolin-1-one derivatives useful as grk2 inhibitors 2020-06-24
BR-112020026545-A2 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF HUNTINGTON'S DISEASE 2018-06-27
CN-112654625-A Heterocyclic and heteroaryl compounds for the treatment of huntington's disease 2018-06-27
KR-20210042265-A Heterocyclic and heteroaryl compounds for the treatment of Huntington's disease 2018-06-27
US-2021238186-A1 Heterocyclic and heteroaryl compounds for treating huntington's disease 2018-06-27
JP-2020500194-A 5,6-Dihydro-11H-indolo [2,3-B] quinolin-11-one as ALK inhibitor 2016-11-18
JP-2019528307-A Aminopyrimidines as ALK inhibitors 2016-08-29
US-2019175595-A1 Aminopyrimidines as alk inhibitors 2016-08-29
US-10709705-B2 Aminopyrimidines as ALK inhibitors 2016-08-29
US-2020330464-A1 Aminopyrimidines as alk inhibitors 2016-08-29
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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