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
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 |
