4-(Benzyloxy)phenylboronic Acid

Inquiry

Molecular Formula:

C13H13O3B

Molecular Weight:

228.05

CAS Number:

146631-00-7

Catalog Number:

146631-00-7

Product Information

Molecular Formula:

C13H13O3B

Molecular Weight:

228.05

Description

4-(Benzyloxy)phenylboronic Acid (CAS# 146631-00-7) is a reagent in the synthesis of arylalkenylpropargylamines as neuroprotective and potent selective monoamine oxidase B inhibitors. Also used to prepare pyridone alkaloids used as antiproliferative agents.

Synonyms

(4-phenylmethoxyphenyl)boronic acid; (4-phenylmethoxyphenyl)boronic acid

IUPAC Name

(4-phenylmethoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)OCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2

InChI Key

DMJHEIDWSIAXCS-UHFFFAOYSA-N

Boiling Point

418.9 °C at 760 mmHg

Melting Point

193-199 °C

Flash Point

Not applicable

Purity

≥ 95.0 %

Density

1.2 g/cm³

LogP

0.94540

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

228.0957744 g/mol

Monoisotopic Mass

228.0957744 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

209

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
CN-113861188-A	Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor	2021-08-23
CN-112898133-A	Preparation method of trans-ketone intermediate	2021-01-27
CN-112661681-A	Polymerizable compound	2020-08-03
EP-3950670-A1	Polymerizable compounds	2020-08-03
JP-2022028594-A	Polymerizable compounds	2020-08-03
KR-20220016768-A	Polymerizable compounds	2020-08-03
CN-113354651-A	Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines	2020-07-30
CN-111518058-A	Oxathiazine compound and application thereof	2020-05-29
CN-111518058-B	Oxathiazine compound and application thereof	2020-05-29
CN-111559990-A	Micromolecular oxathiazine derivative and application thereof	2020-05-29

Literatures

PMID	Publication Date	Title	Journal
20669927	2010-11-11	Medicinal chemistry as a conduit for the modulation of quorum sensing	Journal of medicinal chemistry

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