(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
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 |
