2-Acetylphenylboronic Acid - CAS 308103-40-4
Catalog: |
BB020731 |
Product Name: |
2-Acetylphenylboronic Acid |
CAS: |
308103-40-4 |
Synonyms: |
(2-acetylphenyl)boronic acid; (2-acetylphenyl)boronic acid |
IUPAC Name: | (2-acetylphenyl)boronic acid |
Description: | Reactant involved in: Suzuki-Miyaura cross-coupling reactions; Rhodium-catalyzed annulation of ynamides; Transient masking of hydroxy groups; Cationic palladium complex-catalyzed diastereoselective tandem annulation; Hydrogen peroxide mediated formation of heteroaryl ethers; Copper-catalyzed transmetalation and homocoupling. |
Molecular Weight: | 163.97 |
Molecular Formula: | C8H9O3B |
Canonical SMILES: | B(C1=CC=CC=C1C(=O)C)(O)O |
InChI: | InChI=1S/C8H9BO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,11-12H,1H3 |
InChI Key: | ZKAOVABYLXQUTI-UHFFFAOYSA-N |
Boiling Point: | 349.9 °C at 760 mmHg |
Melting Point: | 170 °C (dec.) (lit.) |
Purity: | ≥ 95 % |
Density: | 1.19 g/cm3 |
MDL: | MFCD01321263 |
LogP: | -0.43100 |
GHS Hazard Statement: | H315 (100%): 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-112485442-A | Small molecule target screening method based on chemical proteomics and application thereof | 20201112 |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
US-2021208150-A1 | Methods for stable complex formation and related kits | 20200107 |
CN-110964043-A | Citrulline probe compound and application thereof | 20191202 |
KR-20190121744-A | 5 substituted indenofluorene derivative compound and organic electroluminescent device including the same | 20191021 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0644743 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0644743 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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