3,5-Dimethoxyphenylboronic Acid
Product Information
Molecular Formula
C8H11O4B
Molecular Weight
181.98
Description
Reactant for: Palladium-catalyzed coupling reactions; Preparation of benzopyranone derivatives as positive GABAA receptor modulators; Preparation of aryl alkenes via three-component coupling catalyzed by palladium; Suzuki-Miyaura coupling; Rhodium catalyzed cyanation with N-cyano-N-phenyl-p-methylbenzenesulfonamide; Preparation of bisphosphonate inhibitors of human farnesyl pyrophosphate synthase.
Synonyms
(3,5-dimethoxyphenyl)boronic acid; (3,5-dimethoxyphenyl)boronic acid
IUPAC Name
(3,5-dimethoxyphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1)OC)OC)(O)O
InChI
InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3
InChI Key
XUIURRYWQBBCCK-UHFFFAOYSA-N
Boiling Point
371.6 °C at 760 mmHg
Melting Point
202-207 °C
Flash Point
178.3 °F - closed cup
Purity
≥ 95 %
Density
1.19 g/cm3
LogP
-0.61640
Safety Information
Hazards
H315 - H319 - H335
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
141
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-114031623-A | C14Amino-substituted tetrandrine derivative and preparation and application thereof | 2021-11-12 |
| CN-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-113683498-A | Green light material based on 9-fluorenone structural framework and preparation method and application thereof | 2021-09-07 |
| CN-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| CN-112574216-B | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| CN-112201752-A | Preparation method and application of flexible electric storage device | 2020-08-11 |
| WO-2022011083-A1 | Pyrazolone formyl peptide 2 receptor agonists | 2020-07-09 |
| CN-111689994-A | Organic conjugated molecular material with bifluorene Aza-BODIPY as basic skeleton and preparation method and application thereof | 2020-06-05 |
| CN-111320575-A | Pyridine-2-aryl-3-sulfonamide compound and synthesis method and application thereof | 2020-04-08 |
| CN-111440174-A | Pyridine amide compound and preparation method and application thereof | 2020-04-02 |
