3,4-Dimethoxyphenylboronic Acid

Inquiry

Molecular Formula:

C8H11O4B

Molecular Weight:

181.98

CAS Number:

122775-35-3

Catalog Number:

122775-35-3

Product Information

Molecular Formula:

C8H11O4B

Molecular Weight:

181.98

Description

3,4-Dimethoxyphenylboronic acid can be used: As a substrate in the cross-coupling reaction with 5,7-dichloropyrido[4,3-d]pyrimidine catalyzed by palladium; As a starting material for the synthesis of buflavine 1, a natural alkaloid; In one of the key synthetic steps for the preparation of lipidated malarial glycosylphosphatidylinositols (GPI) disaccharide; To prepare 3,3″,4,4″-tetramethoxy-1,1'4',1″-terphenyl by reacting with 1,4-dibromobenzene using Pd catalyst.

Synonyms

(3,4-dimethoxyphenyl)boronic acid; (3,4-dimethoxyphenyl)boronic acid

IUPAC Name

(3,4-dimethoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H11BO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5,10-11H,1-2H3

InChI Key

RCVDPBFUMYUKPB-UHFFFAOYSA-N

Boiling Point

336.7 °C at 760 mmHg

Melting Point

245-250 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95.0 %

Density

1.19 g/cm³

LogP

-0.61640

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

182.0750390 g/mol

Monoisotopic Mass

182.0750390 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

153

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-114085184-A	Biphenyl derivative containing cyclopropane structure and preparation method and application thereof	2021-11-17
CN-113788846-A	Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof	2021-10-27
CN-113754511-A	Novel method for constructing fluoranthene and derivatives thereof based on palladium-catalyzed intramolecular cyclization reaction	2021-10-11
CN-113773273-A	Benzisothiazole compound, preparation method and application thereof	2021-09-15
CN-113683498-A	Green light material based on 9-fluorenone structural framework and preparation method and application thereof	2021-09-07
CN-113620901-A	Crown ether derived chiral 1,1 '-bi-2, 2' -naphthol, preparation method and application thereof	2021-08-31
CN-113861188-A	Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor	2021-08-23
CN-113694062-A	Anti-tumor application of pyridine-containing compound	2021-08-05
CN-113444038-A	2-aryl isonicotinic acid amide LSD1/HDAC double-target inhibitor, and preparation method and application thereof	2021-07-07
CN-113264937-A	4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof	2021-06-08

Literatures

PMID	Publication Date	Title	Journal
22590202	2012-05-01	3,4-Dimeth-oxy-4'-nitro-1,1'-biphen-yl	Acta crystallographica. Section E, Structure reports online
22606086	2012-04-01	3',4'-Dimeth-oxy-biphenyl-4-carbonitrile	Acta crystallographica. Section E, Structure reports online
22090943	2011-08-01	3,3'',4,4''-Tetra-meth-oxy-1,1':4',1''-terphen-yl	Acta crystallographica. Section E, Structure reports online

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