4-Methoxy-2-methylphenylboronic Acid

Name: 4-Methoxy-2-methylphenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C8H11O3B

Molecular Weight:

165.98

CAS Number:

208399-66-0

Catalog Number:

208399-66-0

Product Information

Molecular Formula:

C8H11O3B

Molecular Weight:

165.98

Description

Reactant for preparation of biologically active molecules: Preparation of hydroxyphenylnaphthols as 17ß-hydroxysteroid dehydrogenase Type 2 inhibitors. Reactant for: Preparation of axially-chiral biarylphosphonates by asymmetric Suzuki coupling catalyzed by palladium complexes with helically-chiral polyquinoxaline phosphine and polyphosphine copolymers; Preparation of arylpyrimidines and their use in regioselective acetoxylation; Preparation of N-arylated azoles via copper fluorapatite-catalyzed arylation.

Synonyms

(4-methoxy-2-methylphenyl)boronic acid; (4-methoxy-2-methylphenyl)boronic acid

IUPAC Name

(4-methoxy-2-methylphenyl)boronic acid

Canonical SMILES

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

InChI

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

InChI Key

AMSQNQJCBXQYEX-UHFFFAOYSA-N

Boiling Point

327.1 °C at 760 mmHg

Melting Point

169-174 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.14 g/cm³

Appearance

Off-white powder

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-112877372-A	Process for preparing tertiary alpha-aryl cyclic ketones	2021-02-18
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	2019-10-17
WO-2021035101-A1	Molecules that bind to tdp-43 for the treatment of amyotrophic lateral sclerosis and related disorders	2019-08-22
CN-111825508-A	Preparation method of dihydro 9-phenanthrene amine compound and chiral product prepared by same	2019-04-15
CN-111825508-B	Preparation method of dihydro 9-phenanthrene amine compound and chiral product prepared by same	2019-04-15
WO-2020151589-A1	Acylamino bridged heterocyclic compound, and composition and application thereof	2019-01-25
TW-202041507-A	Amido bridged heterocyclic compound, and composition and application thereof	2019-01-25
CA-3127701-A1	Acylamino bridged heterocyclic compound, and composition and application thereof	2019-01-25
CN-113166116-A	Amido bridged heterocyclic compound, and composition and application thereof	2019-01-25
EP-3901147-A1	Acylamino bridged heterocyclic compound, and composition and application thereof	2019-01-25

Literatures

PMID	Publication Date	Title	Journal
21476502	2011-05-20	Synthesis, conformational stability, and asymmetric transformation of atropisomeric 1,8-bisphenolnaphthalenes	The Journal of organic chemistry

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