4-Benzylphenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C19H23BO2

Molecular Weight:

294.2

CAS Number:

911708-01-5

Catalog Number:

911708-01-5

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

294.1791101 g/mol

Monoisotopic Mass

294.1791101 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

350

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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4-Benzylphenylboronic acid pinacol ester

Product Information

Safety Information

Computed Properties

Patents

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