6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
Product Information
Molecular Formula
C15H18BNO2
Molecular Weight
255.12000
Description
Useful boron compound for Suzuki coupling.
Synonyms
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOQUINOLINE; Isoquinoline-6-boronic acid pinacol ester; Isoquinoline-6-boronic acid pinacol ester, 95%; 6-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOQUINOLINE; 6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-isoquinoline; 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) isoquinoline
IUPAC Name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-6-5-12-10-17-8-7-11(12)9-13/h5-10H,1-4H3
InChI Key
LFALMDZWCMSBFO-UHFFFAOYSA-N
Boiling Point
397.5°C at 760 mmHg
Melting Point
179-184 °C
Flash Point
Not applicable
Purity
97+%
Density
1.1g/cm3
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
255.1430590 g/mol
Monoisotopic Mass
255.1430590 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
329
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-2022036188-A1 | Phd inhibitor compounds, compositions, and methods of use | 2020-08-14 |
| 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 |
| CN-112979642-A | Organic compound and electrochromic element | 2019-12-18 |
| EP-3839007-A1 | Organic compound and electrochromic element | 2019-12-18 |
| JP-2021095385-A | Organic compounds and electrochromic devices | 2019-12-18 |
| US-2021191217-A1 | Organic compound and electrochromic element | 2019-12-18 |
| CN-111978317-A | Imidazopyridine MNK1/MNK2 kinase inhibitor and preparation method and application thereof | 2019-05-22 |
| TW-202100498-A | Method for separating straight-chain hydrocarbons with double bonds in which all hydrogen atoms are replaced by fluorine atoms or chlorine atoms | 2019-05-20 |
| TW-202010733-A | A plurality of host materials and organic electroluminescent device comprising the same | 2018-09-10 |
| TW-202017905-A | Aniline derivatives | 2018-08-03 |
