2-Ethoxycarbonylphenylboronic Acid
Product Information
Molecular Formula
C9H11O4B
Molecular Weight
193.99
Description
Reactant for: Synthesis of embelin derivatives via Suzuki-Miyaura reaction, cross metathesis and Wittig olefination; Asymmetric cyclopropanation of alkenes with di-Me diazomalonate catalyzed by chiral diene-rhodium complexes; Preparation of phenylalanines as selective AMPA- and kainate receptor ligands; Preparation of aryl pyrazinones via microwave-assisted palladium-catalyzed arylation of resin supported pyrazinones under simultaneous cooling condition; Regioselective preparation of (aryl)hydroxyquinolines via Suzuki-Miyaura cross-coupling with chloro(tosyloxy)quinoline under anhydrous conditions followed by nucleophilic deprotection of the tosyl group.
Synonyms
(2-ethoxycarbonylphenyl)boronic acid; (2-ethoxycarbonylphenyl)boronic acid
IUPAC Name
(2-ethoxycarbonylphenyl)boronic acid
SMILES
B(C1=CC=CC=C1C(=O)OCC)(O)O
InChI
InChI=1S/C9H11BO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key
QZKVVOXAEBCLPZ-UHFFFAOYSA-N
Boiling Point
367.5 °C at 760 mmHg
Melting Point
128-136 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.21 g/cm3
LogP
-0.45690
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
194.0750390 g/mol
Monoisotopic Mass
194.0750390 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
195
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| TW-201945350-A | Material for organic electroluminescence device | 2018-03-06 |
| WO-2019170578-A1 | Materials for organic electroluminescent devices | 2018-03-06 |
| CN-111819169-A | Material for organic electroluminescent device | 2018-03-06 |
| KR-20200128549-A | Materials for organic electroluminescent devices | 2018-03-06 |
| EP-3762373-A1 | Materials for organic electroluminescent devices | 2018-03-06 |
| JP-6644951-B2 | Organic electroluminescent device and novel compound | 2017-12-06 |
| JP-WO2019111971-A1 | Organic electroluminescence device and novel compound | 2017-12-06 |
| KR-20190082752-A | Organic electroluminescence device and novel compound | 2017-12-06 |
| US-10680181-B2 | Organic electroluminescence device and novel compound | 2017-12-06 |
| US-2019341556-A1 | Organic electroluminescence device and novel compound | 2017-12-06 |
