4-Aminophenylboronic Acid Pinacol Ester - CAS 214360-73-3
Catalog: |
BB016862 |
Product Name: |
4-Aminophenylboronic Acid Pinacol Ester |
CAS: |
214360-73-3 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | Reagent used for: Suzuki-Miyaura cross-coupling reactions ; Mercury(II) detection by fluorometry with new fluorogenic indicators based on through-bond energy transfer from pentaquinone to rhodamine ; Rhodium-catalyzed amination reactions ; Palladium-catalyzed Suzuki cross-coupling to synthesize potential antitubercular and antimicrobial compounds Reagent used in Preparation of ; Hexaphenylbenzene derivatives as a potential bioprobe and multichannel keypad system; Pyromellitic diimide-based polymer as matrix for solution-processable n-channel field-effect transistors ; Alternating copolymers of oligoarylenes and naphthalene bisimides as low band gap semiconductors with electrochemical and spectroelectrochemical behavior ; γ-secretase modulators in the treatment of Amyloid β formation. |
Molecular Weight: | 219.09 |
Molecular Formula: | C12H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3 |
InChI Key: | ZANPJXNYBVVNSD-UHFFFAOYSA-N |
Boiling Point: | 340 °C at 760 mmHg |
Melting Point: | 165-169 °C (lit.) |
Purity: | 97 % |
Density: | 1.05 g/cm3 |
MDL: | MFCD02093721 |
LogP: | 2.14920 |
GHS Hazard Statement: | H315 (97.78%): 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-113045559-A | Diaryl urea PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof | 20210315 |
CN-112939964-A | Benzo-heterocycle substituted phenanthridine quaternary ammonium salt derivative and preparation method and application thereof | 20210309 |
CN-112898568-A | Conjugated microporous polymer based on 1,3,6, 8-tetra (4-aminophenyl) pyrene and preparation method thereof | 20210206 |
CN-113045582-A | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20210205 |
CN-112500568-A | Polyimide film and preparation method thereof | 20201224 |
PMID | Publication Date | Title | Journal |
21336331 | 20110301 | Palladium-mediated intracellular chemistry | Nature chemistry |
17922005 | 20071101 | ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism | Nature chemical biology |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1430590 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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