Methylenedi(boronic Acid Pinacol Ester)

Inquiry

Molecular Formula:

C13H26O4B2

Molecular Weight:

267.97

CAS Number:

78782-17-9

Catalog Number:

78782-17-9

Product Information

Molecular Formula:

C13H26O4B2

Molecular Weight:

267.97

Description

Bis-boronate has been reported by Morken and coworkers to be a key building block in the synthesis of enantioenriched secondary boronate esters, which undergo facile Suzuki-Miyaura coupling with minimal erosion of enantiopurity.Bis[(pinacolato)boryl]methane may be used in the preparation of trans-vinyl boronate esters, via the Boron-Wittig reaction.

Synonyms

4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

IUPAC Name

4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)CB2OC(C(O2)(C)C)(C)C

InChI

InChI=1S/C13H26B2O4/c1-10(2)11(3,4)17-14(16-10)9-15-18-12(5,6)13(7,8)19-15/h9H2,1-8H3

InChI Key

MQYZGGWWHUGYDR-UHFFFAOYSA-N

Melting Point

48 °C

Storage

2-8 °C

LogP

2.71000

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

268.2017196 g/mol

Monoisotopic Mass

268.2017196 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

300

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-2022049134-A1	Heterocyclic compounds	2020-09-03
US-2022009924-A1	Modulators of thr-beta and methods of use thereof	2020-07-10
WO-2021233396-A1	Azetidine cyclic ureas	2020-05-20
WO-2021210586-A1	Condensed heterocyclic compound	2020-04-14
WO-2021097110-A1	Therapeutic compounds and methods of use	2019-11-13
TW-202130618-A	Therapeutic compounds and methods of use	2019-11-13
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	2019-07-11
TW-202116754-A	Indazoles and azaindazoles as lrrk2 inhibitors	2019-07-11
WO-2020232470-A1	Chemical compounds	2019-05-13
TW-202108147-A	Chemical compounds	2019-05-13

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)