4-butoxyphenylboronic acid

Product Information

Molecular Formula:
C10H15O3B
Molecular Weight:
194.03
Description
Reactant for:• Suzuki-Miyaura cross-coupling reactions• Condensation reactions• Synthesis of azobenzene-functionalized compounds• Preparation of highly fluorescent diketopyrrolopyrrole derivatives• Rhodium-catalyzed Suzuki-type cross-coupling• Copper-catalyzed asymmetric conjugate reduction of coumarins
Synonyms
P-BUTOXYPHENYLBORONIC ACID; 4-BUTOXYPHENYLBORONIC ACID; (4-N-BUTOXYPHENYL)BORONIC ACID; AKOS BRN-0163; 4-BUTOXYCARBONYLBORONIC ACID; 4-BUTOXYMETHYLBORONICACID; 4-Butyloxyphenylboronic acid
IUPAC Name
(4-butoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)OCCCC)(O)O
InChI
InChI=1S/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChI Key
QUPFQMXWFNJUNJ-UHFFFAOYSA-N
Boiling Point
342.3°C at 760 mmHg
Melting Point
106-108°C
Purity
98%
Density
1.08 g/cm3
Appearance
off-white solid

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
194.1114245 g/mol
Monoisotopic Mass
194.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
144
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
JP-2022037357-A Liquid crystal molecules with a cyclic structure showing a low phase transition temperature 2020-08-25
WO-2021019051-A1 Inhibitors of human atgl 2019-07-30
KR-20200045430-A Novel terphenyl-baseed amphiphiles and uses thereof 2018-10-22
KR-102321563-B1 Novel terphenyl-baseed amphiphiles and uses thereof 2018-10-22
WO-2019246603-A1 Methods and compositions for inhibition of dihydroorotate dehydrogenase 2018-06-22
AU-2019288813-A1 Methods and compositions for inhibition of dihydroorotate dehydrogenase 2018-06-22
BR-112020026308-A2 DI-HYDRO-OROTATE DEHYDROGENASE INHIBITING COMPOUNDS, PHARMACEUTICAL COMPOSITION THAT UNDERSTANDS THE COMPOUNDS AND USE OF THE SAME TO TREAT CANCER 2018-06-22
CA-3103557-A1 Methods and compositions for inhibition of dihydroorotate dehydrogenase 2018-06-22
CN-112672744-A Methods and compositions for inhibiting dihydroorotate dehydrogenase 2018-06-22
EP-3793562-A1 Methods and compositions for inhibition of dihydroorotate dehydrogenase 2018-06-22
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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