4-Bromophenylboronic Acid - CAS 5467-74-3
Catalog: |
BB028766 |
Product Name: |
4-Bromophenylboronic Acid |
CAS: |
5467-74-3 |
Synonyms: |
(4-bromophenyl)boronic acid; (4-bromophenyl)boronic acid |
IUPAC Name: | (4-bromophenyl)boronic acid |
Description: | Reagent used for: Palladium catalyzed Suzuki-Miyaura cross-couplings ; Pd(II)-catalyzed diastereoselective conjugate additions ; Palladium-catalyzed stereoselective Heck-type reaction of allylic esters with arylboronic acids ; Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence ; Copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides ; Pd-catalyzed arylative cyclization of alkyne-tethered enals or enones via carbopalladation of alkynes ; Copper-catalyzed cross-couplings. Reagent used in Preparation of: Gallate-based obovatol analogs with potential anti-tumor activity ; Protein modulators and enzymatic and kinase inhibitors. |
Molecular Weight: | 200.83 |
Molecular Formula: | C6H6BrO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)Br)(O)O |
InChI: | InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H |
InChI Key: | QBLFZIBJXUQVRF-UHFFFAOYSA-N |
Boiling Point: | 315 °C at 760 mmHg |
Melting Point: | 284-288 °C (lit.) |
Purity: | 99 % |
Density: | 1.67 ± 0.1 g/mL (predicted) |
Appearance: | Powder or crystals |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD00002104 |
LogP: | 0.12890 |
GHS Hazard Statement: | H315 (98.18%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113511970-A | Synthetic method of aryl-substituted alkyne | 20210610 |
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PMID | Publication Date | Title | Journal |
21936546 | 20111104 | 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 |
21720510 | 20110101 | Enhanced effect and mechanism of water-in-oil microemulsion as an oral delivery system of hydroxysafflor yellow A | International journal of nanomedicine |
20014894 | 20101001 | Inhibition studies of soybean (Glycine max) urease with heavy metals, sodium salts of mineral acids, boric acid, and boronic acids | Journal of enzyme inhibition and medicinal chemistry |
20710065 | 20100811 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
20594849 | 20100801 | Aryl boronic acid inhibition of synthetic melanin polymerization | Bioorganic & medicinal chemistry letters |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.96442 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.96442 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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