4-BENZOYLBENZENEBORONIC ACID
Product Information
Molecular Formula
C13H11BO3
Molecular Weight
226.04
Description
Reactant for:• Pd-catalyzed regioselective cross-coupling reactions• Synthesis of 9-arylpurines as a novel class of Enterovirus inhibitors• Suzuki cross-coupling
Synonyms
(P-BENZOYLPHENYL)BORONIC ACID; 4-BENZOYLPHENYLBORONIC ACID; 4-BENZOYLBENZENEBORONIC ACID; AKOS BRN-0029
IUPAC Name
(4-benzoylphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(O)O
InChI
InChI=1S/C13H11BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,16-17H
InChI Key
CWMIVCCXDVRXST-UHFFFAOYSA-N
Boiling Point
427.9°C at 760mmHg
Melting Point
204-212°C(lit.)
Flash Point
Not applicable
Purity
96%
Density
1.25g/cm3
Appearance
White powder
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
226.0801244 g/mol
Monoisotopic Mass
226.0801244 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
253
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-113896736-A | Aryl-substituted spirooxazine photochromic compound and preparation method and application thereof | 2021-11-18 |
| CN-113801037-A | One-step method for preparing C-N coupling product from nitroaromatic and alkyl or phenyl boric acid | 2021-08-24 |
| CN-111793013-A | Synthetic method for preparing aryl methyl selenide compound from selenium methyl bunnt salt and arylboronic acid | 2020-06-17 |
| CN-111793013-B | Synthetic method for preparing aryl methyl selenide compound from selenium methyl bunnt salt and arylboronic acid | 2020-06-17 |
| CN-111518058-A | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111518058-B | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| WO-2021238588-A1 | Oxathiazine compound and use thereof | 2020-05-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21936546 | 2011-11-04 | Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors | The Journal of organic chemistry |
