Ethynylboronic acid MIDA ester

Inquiry

Molecular Formula:

C7H8BNO4

Molecular Weight:

180.95

CAS Number:

1104637-53-7

Catalog Number:

1104637-53-7

Product Information

Molecular Formula:

C7H8BNO4

Molecular Weight:

180.95

Description

Suzuki Cross-Coupling with MIDA Boronates
Ethynylboronic acid MIDA ester is a bifunctional acetylene equivalent, air-stable, chromatography-compatible boronate commonly used in Suzuki-Miyaura cross-coupling reaction. It can also be used in the synthesis of heterocyclic MIDA boronates of isoquinolone, isoquinoline, pyrrole, indole, isoxazoles and triazoles for subsequent cross-coupling reactions.

Synonyms

Acetyleneboronic acid MIDA ester, Acetynylboronic acid MIDA ester, Ethyneboronic acid MIDA ester

IUPAC Name

2-ethynyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C#C

InChI

InChI=1S/C7H8BNO4/c1-3-8-12-6(10)4-9(2)5-7(11)13-8/h1H,4-5H2,2H3

InChI Key

NHVZIRZCTRJEFP-UHFFFAOYSA-N

Melting Point

208-209 °C

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

181.0546379 g/mol

Monoisotopic Mass

181.0546379 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

262

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
WO-2021111124-A1	Polyheterocyclic compounds as mettl3 inhibitors	2019-12-02
US-2020388885-A1	Silicon-based energy storage devices with lipo2f2 salt-containing electrolyte formulations	2019-06-05
WO-2019067702-A1	INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3	2017-09-27
WO-2019067702-A9	INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3	2017-09-27
US-2021147408-A1	Small molecule inhibitors of galectin-3	2017-09-27
US-11267811-B2	Small molecule inhibitors of galectin-3	2017-09-27

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Ethynylboronic acid MIDA ester

Product Information

Computed Properties

Patents

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