1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C12H22NO2B
Molecular Weight
223.12
Description
1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester can be used as a substrate in the study of para-alkenylation reactions of toluene using thianthrene S-oxide and palladium catalyst.
Synonyms
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine; 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
IUPAC Name
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C
InChI
InChI=1S/C12H22BNO2/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10/h6H,7-9H2,1-5H3
InChI Key
SQMVRFXDBRYXFQ-UHFFFAOYSA-N
Boiling Point
256.7 °C at 760 mmHg
Melting Point
72-76 °C
Flash Point
Not applicable
Purity
97 %
Density
0.97 g/cm3
Appearance
Solid
Storage
2-8 °C
LogP
1.81760
Safety Information
Precautionary Statement
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
223.1743591 g/mol
Monoisotopic Mass
223.1743591 g/mol
Topological Polar Surface Area
21.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
296
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-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2022017408-A1 | Arylamine derivative and preparation method therefor and medical use thereof | 2020-07-22 |
| WO-2022002102-A1 | Quinazoline compounds, preparation methods and uses thereof | 2020-06-30 |
| WO-2021224320-A1 | New macrocyclic lrrk2 kinase inhibitors | 2020-05-06 |
| WO-2021210586-A1 | Condensed heterocyclic compound | 2020-04-14 |
| WO-2021207530-A1 | Compounds and methods for modulating splicing | 2020-04-08 |
| WO-2021207024-A1 | Preparation of a 1,3,5-triazinyl benzimidazole | 2020-04-07 |
| WO-2021198709-A1 | Naphthyridine compounds as inhibitors of mer tyrosine kinase and axl tyrosine kinase | 2020-04-03 |
| WO-2021183439-A1 | Substituted furo[3,2-d]pyrimidines and uses thereof | 2020-03-09 |
| CN-113082224-A | Pyridopyrimidine derivative conjugate, preparation method thereof and application thereof in medicines | 2020-01-08 |
