Phenylboronic Acid Pinacol Ester - CAS 24388-23-6
Catalog: |
BB018453 |
Product Name: |
Phenylboronic Acid Pinacol Ester |
CAS: |
24388-23-6 |
Synonyms: |
4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane |
Description: | Phenylboronic acid pinacol ester can be used: To prepare sulfinamide derivatives by reacting with diethylaminosulfur trifluoride (DAST) and potassium phenyltrifluoroborate; As a substrate in the study of Suzuki-Miyaura coupling of various aryl iodides over SiliaCat Pd(0). |
Molecular Weight: | 204.07 |
Molecular Formula: | C12H17O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H17BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-9H,1-4H3 |
InChI Key: | KKLCYBZPQDOFQK-UHFFFAOYSA-N |
Boiling Point: | 282.1 °C at 760 mmHg |
Melting Point: | 27-31 °C (lit.) |
Flash Point: | 224.6 °F - closed cup |
Purity: | 97 % |
Density: | 0.99 g/cm3 |
MDL: | MFCD00966985 |
LogP: | 1.98580 |
GHS Hazard Statement: | H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22704378 | 20120706 | Organoboron compounds as Lewis acid receptors of fluoride ions in polymeric membranes | Analytica chimica acta |
20694490 | 20101101 | Boronated phosphonium salts containing arylboronic acid, closo-carborane, or nido-carborane: synthesis, X-ray diffraction, in vitro cytotoxicity, and cellular uptake | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
19283823 | 20090101 | Palladium(0)-mediated rapid methylation and fluoromethylation on carbon frameworks by reacting methyl and fluoromethyl iodide with aryl and alkenyl boronic acid esters: useful for the synthesis of [11C]CH(3)--C- and [18F]FCH2--C-Containing PET tracers (PET=positron emission tomography) | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.1321599 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.1321599 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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