4-Benzylphenylboronic acid pinacol ester
Product Information
Molecular Formula
C19H23BO2
Molecular Weight
294.2
Description
4-Benzylphenylboronic acid pinacol ester, known for its indispensable role in the ever-evolving biomedical domain, stands as an invaluable reagent, facilitating the creation of revolutionary pharmaceuticals. Embracing the boundless potential of its adaptable boronic acid functionality, this compound assumes a crucial position in the pursuit of groundbreaking therapeutics, targeting afflictions ranging from the formidable realm of cancer to the all-encompassing specter of inflammation.
Synonyms
4-Benzylphenylboronic acid pinacol ester
IUPAC Name
2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23BO2/c1-18(2)19(3,4)22-20(21-18)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChI Key
FPLGWDLJBAAWHO-UHFFFAOYSA-N
Melting Point
89-94 °C
Flash Point
Not applicable
Purity
95%
Appearance
White to tan solid
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335 - H413
Precautionary Statement
P273 - P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
294.1791101 g/mol
Monoisotopic Mass
294.1791101 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
350
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| AU-2013299557-A1 | Heteroaromatic compounds as Bruton's tyrosine kinase (BTK) inhibitors | 2012-08-10 |
| AU-2013299557-B2 | Heteroaromatic compounds as Bruton's tyrosine kinase (BTK) inhibitors | 2012-08-10 |
| CA-2881519-A1 | Heteroaromatic compounds as bruton's tyrosine kinase (btk) inhibitors | 2012-08-10 |
| EP-2882741-A1 | Heteroaromatic compounds as bruton's tyrosine kinase (btk) inhibitors | 2012-08-10 |
| EP-2882741-B1 | Heteroaromatic compounds as bruton's tyrosine kinase (btk) inhibitors | 2012-08-10 |
| JP-2015524480-A | Heteroaromatic compounds as breton-type tyrosine kinase (BTK) inhibitors | 2012-08-10 |
| JP-6348492-B2 | Heteroaromatic compounds as breton-type tyrosine kinase (BTK) inhibitors | 2012-08-10 |
| KR-20150040292-A | Heteroaromatic compounds as bruton's tyrosine kinase (btk) inhibitors | 2012-08-10 |
| US-10138229-B2 | Heteroaromatic compounds as BTK inhibitors | 2012-08-10 |
| US-2014045813-A1 | Heteroaromatic compounds as btk inhibitors | 2012-08-10 |
