4-Benzyloxyphenylboronic Acid Pinacol Ester - CAS 754226-40-9
Catalog: |
BB035328 |
Product Name: |
4-Benzyloxyphenylboronic Acid Pinacol Ester |
CAS: |
754226-40-9 |
Synonyms: |
4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane |
Description: | 4-Benzyloxyphenylboronic Acid Pinacol Ester (CAS# 754226-40-9) is a useful research chemical. |
Molecular Weight: | 310.20 |
Molecular Formula: | C19H23O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-12-17(13-11-16)21-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3 |
InChI Key: | KMKOKPUXZWBMEI-UHFFFAOYSA-N |
Boiling Point: | 428.5 °C at 760 mmHg |
Melting Point: | 81-85 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.08 g/cm3 |
MDL: | MFCD04974107 |
LogP: | 2.51920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111511719-A | Quinoline compounds for the treatment and prophylaxis of hepatitis b virus diseases | 20171219 |
EP-3288945-A1 | Imidazopyrazines and pyrazolopyrimidines and their use as ampa receptor modulators | 20150429 |
EP-3288945-B1 | Imidazopyrazines and pyrazolopyrimidines and their use as ampa receptor modulators | 20150429 |
JP-2018514537-A | Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators | 20150429 |
US-10513523-B2 | Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators | 20150429 |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.1740248 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.1740248 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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