3,4-Dimethoxyphenylboronic Acid
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
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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
182.0750390 g/mol
Monoisotopic Mass
182.0750390 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
153
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
