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
Canonical 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

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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