4-Butylphenylboronic Acid
Product Information
Molecular Formula
C10H15O2B
Molecular Weight
178.04
Description
Reactant for:Suzuki-Miyaura cross-couplingsNHC-Iron-catalyzed aerobic oxidative aromatic esterification of aldehydesPalladium-catalyzed oxidative Heck-type reactions.
Synonyms
(4-butylphenyl)boronic acid; (4-butylphenyl)boronic acid
IUPAC Name
(4-butylphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)CCCC)(O)O
InChI
InChI=1S/C10H15BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8,12-13H,2-4H2,1H3
InChI Key
UGZUUTHZEATQAM-UHFFFAOYSA-N
Boiling Point
313.5 °C / 760 mmHg
Melting Point
91-97 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.03 g/cm3
Appearance
Solid
Storage
Keep in dark place. Sealed in dry. Room temperature.
LogP
0.70900
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
2
Rotatable Bond Count
4
Exact Mass
178.1165099 g/mol
Monoisotopic Mass
178.1165099 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
131
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 |
|---|---|---|
| CN-112876503-A | Borate compound for cancer boron neutron capture therapeutic medicine and preparation thereof | 2021-03-18 |
| WO-2021250283-A1 | Medical devices and materials comprising biodegradable polyesters | 2020-06-12 |
| WO-2021250286-A1 | Antimicrobial formulations comprising silicone | 2020-06-12 |
| EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
| WO-2021180795-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
| WO-2021145052-A1 | Light emitting member, light emitting compound, and photoelectric conversion member | 2020-01-16 |
| WO-2021019051-A1 | Inhibitors of human atgl | 2019-07-30 |
| CA-3147471-A1 | Inhibitors of human atgl | 2019-07-30 |
| CN-109896920-B | Synthetic method of phenanthrene and derivative thereof | 2019-03-07 |
| CN-109575005-B | 4,4' -di (alkylbenzene) bithiophene bridged thiourea triphenylamine photosensitive dye and preparation method thereof | 2018-11-27 |
