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
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 |
