(E)-(2-Ethoxyvinyl)boronic Acid Pinacol Ester

Product Information

Molecular Formula:
C10H19O3B
Molecular Weight:
198.07
Description
trans-2-Ethoxyvinylboronic acid pinacol ester is a boronic ester commonly used in Suzuki-Miyaura cross-coupling.This reaction is a key step to synthesize: Azaindole and diazaindoles from chloroamino-N-heterocycles; Doryanine and its derivatives from 2-bromobenzoic acid.
Synonyms
2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C=COCC
InChI
InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3/b8-7+
InChI Key
MRAYNLYCQPAZJN-BQYQJAHWSA-N
Flash Point
188.1 °F
Purity
95 %
Density
0.935 g/mL at 25 °C
Appearance
Liquid
Storage
2-8 °C
Refractive Index
n20/D 1.447
LogP
2.16800

Safety Information

Precautionary Statement
P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
198.1427246 g/mol
Monoisotopic Mass
198.1427246 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
207
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022036204-A1 Compounds, compositions and methods 2020-08-14
AU-2021203261-B1 Novel dioxoloisoquinolinone derivatives and use thereof 2020-08-13
WO-2022035303-A1 Novel dioxoloisoquinolinone derivatives and use thereof 2020-08-13
WO-2022028572-A1 Heterocyclic glp-1 agonists 2020-08-06
WO-2022012622-A1 Degradation of (egfr) by conjugation of egfr inhibitors with e3 ligase ligand and methods of use 2020-07-16
WO-2022012623-A1 Degradation of (egfr) by conjugation of egfr inhibitors with e3 ligase ligand and methods of use 2020-07-16
WO-2021211864-A1 Fused tricyclic kras inhibitors 2020-04-16
US-2021355121-A1 Fused tricyclic kras inhibitors 2020-04-16
WO-2021210586-A1 Condensed heterocyclic compound 2020-04-14
WO-2021156787-A1 Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors 2020-02-04
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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