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
Canonical 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
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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