4-Methoxy-3-methylphenylboronic Acid

Inquiry

Molecular Formula:

C8H11O3B

Molecular Weight:

165.98

CAS Number:

175883-62-2

Catalog Number:

175883-62-2

Product Information

Molecular Formula:

C8H11O3B

Molecular Weight:

165.98

Description

Reactant for: Preparation of hydroxyphenylnaphthols as 17β-hydroxysteroid dehydrogenase Type 2 inhibitors; Synthesis of bioactive combretastatin analogs via regioselective Suzuki coupling; Preparation of aromatic nitriles via copper-mediated cyanation; Rhodium-catalyzed allylic arylation of meso cyclopentene dicarbonates; Lewis acid-assisted asymmetric allylic substitution of butenediyl carbonates using rhodium catalyst.

Synonyms

(4-methoxy-3-methylphenyl)boronic acid; (4-methoxy-3-methylphenyl)boronic acid

IUPAC Name

(4-methoxy-3-methylphenyl)boronic acid

Canonical SMILES

B(C1=CC(=C(C=C1)OC)C)(O)O

InChI

InChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3

InChI Key

PXVDQGVAZBTFIB-UHFFFAOYSA-N

Boiling Point

321.4 °C at 760 mmHg

Melting Point

205-210 °C (lit.)

Flash Point

Not applicable

Density

1.14 g/cm³

LogP

-0.31660

Safety Information

Precautionary Statement

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

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

166.0801244 g/mol

Monoisotopic Mass

166.0801244 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

140

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
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	2020-03-06
WO-2021139775-A1	Pyridone compound and application	2020-01-10
US-11008288-B1	Methods for preparation of apremilast	2019-12-30
CN-111732584-A	Diaryl substituted fused heterocyclic compound, preparation method thereof and application thereof in pharmacy	2019-03-25
US-2020102303-A1	Monoacylglycerol Lipase Modulators	2018-09-28
WO-2020065613-A1	Monoacylglycerol lipase modulators	2018-09-28
TW-202028198-A	Monoacylglycerol lipase modulators	2018-09-28
AU-2019350624-A1	Monoacylglycerol lipase modulators	2018-09-28
BR-112021005896-A2	monoacylglycerol lipase modulators	2018-09-28

Literatures

PMID	Publication Date	Title	Journal
20809657	2010-10-01	Stereocontrolled photodimerization with congested 1,8-bis(4'-anilino)naphthalene templates	The Journal of organic chemistry

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