trans-Styrylboronic Acid Pinacol Ester - CAS 83947-56-2
Catalog: |
BB037113 |
Product Name: |
trans-Styrylboronic Acid Pinacol Ester |
CAS: |
83947-56-2 |
Synonyms: |
4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane |
Description: | Reactant for: Oxidative coupling reactions catalyzed by areneruthenium; Cycloaddition reactions; Preparation of allyl vinyl ethers via Cu-catalyzed coupling with alcohols; Preparation of 5-vinyl-3-pyridinecarbonitriles as PKCθ inhibitors; Diastereoselective addition to zincated hydrazones and stereospecific trapping of boron/zinc bimetallic intermediates by carbon electrophiles; Regioselective and stereoselective Pd-catalyzed chelate-controlled intermolecular oxidative Heck reactions. |
Molecular Weight: | 230.11 |
Molecular Formula: | C14H19O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=CC=C2 |
InChI: | InChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+ |
InChI Key: | ARAINKADEARZLZ-ZHACJKMWSA-N |
Boiling Point: | 128 °C / 4 mmHg |
Melting Point: | 27-33 °C (lit.) |
Flash Point: | Not applicable |
Density: | 0.99 g/cm3 |
Appearance: | Light yellow viscous |
MDL: | MFCD03453666 |
LogP: | 3.33120 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 230.14781 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.14781 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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