4-Isoquinolineboronic acid pinacol ester
Product Information
Molecular Formula
C15H18BNO2
Molecular Weight
255.12
Description
4-Isoquinolineboronic acid pinacol ester is an essential compound extensively utilized in the biomedical sector that emerges as an indispensable adjunct in the realm of biomedicine due to its boronic acid moiety. Its vital role lies in facilitating drug synthesis for the combat against multifarious diseases encompassing cancer, diabetes, and inflammation. The distinctive structure and inherent reactivity foster its indispensability, warranting its prestigious stature within the scientific community.
Synonyms
ISOQUINOLINE-4-BORONIC ACID, PINACOL ESTER; 4-ISOQUINOLINEBORONIC ACID, PINACOL ESTER; 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOQUINOLINE; 2-(4-Isoquinolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)iso
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC3=CC=CC=C23
InChI
InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3
InChI Key
LOMKRPABAXIQJL-UHFFFAOYSA-N
Melting Point
98-102 °C(lit.)
Purity
96%
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-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 |
|---|---|---|
| CN-110437068-B | Preparation method of aromatic methylation | 2019-07-30 |
| KR-20190137014-A | Heterocyclic derivatives and use thereof | 2018-05-31 |
| WO-2019231271-A1 | Heterocyclic derivatives and use thereof | 2018-05-31 |
| TW-202016076-A | Heterocyclic derivatives and their uses | 2018-05-31 |
| CN-112204010-A | Heterocyclic derivatives and use thereof | 2018-05-31 |
| EP-3802495-A1 | Heterocyclic derivatives and use thereof | 2018-05-31 |
| KR-102229471-B1 | Heterocyclic derivatives and use thereof | 2018-05-31 |
| US-2021155594-A1 | Heterocyclic derivatives and use thereof | 2018-05-31 |
| US-10351552-B2 | Bicyclic antiparasitic compounds | 2017-12-07 |
| US-2019177304-A1 | Bicyclic Antiparasitic Compounds | 2017-12-07 |
