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4-Isoquinolineboronic acid pinacol ester

4-Isoquinolineboronic acid pinacol ester

Name: 4-Isoquinolineboronic acid pinacol ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C15H18BNO2

Molecular Weight:

255.12

CAS Number:

685103-98-4

Catalog Number:

685103-98-4

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

255.1430590 g/mol

Monoisotopic Mass

255.1430590 g/mol

Topological Polar Surface Area

31.4Å²

Heavy Atom Count

Formal Charge

Complexity

329

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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