3,5-Dimethylphenylboronic Acid

Product Information

Molecular Formula:
C8H11O2B
Molecular Weight:
149.98
Description
3,5-Dimethylphenylboronic acid (DMPBA) can be used as: A reactant in the palladium-catalyzed Suzuki coupling reactions; A co-extractant in the combination with modified Aliquat 336 for the extraction of xylose, glucose, and fructose from aqueous solutions; A reactant to prepare penultimate methyl ester.
Synonyms
(3,5-dimethylphenyl)boronic acid; (3,5-dimethylphenyl)boronic acid
IUPAC Name
(3,5-dimethylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)C)C)(O)O
InChI
InChI=1S/C8H11BO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5,10-11H,1-2H3
InChI Key
DJGHSJBYKIQHIK-UHFFFAOYSA-N
Boiling Point
312.7 °C at 760 mmHg
Melting Point
261-265 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.07 g/cm3
LogP
-0.01680

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
150.0852098 g/mol
Monoisotopic Mass
150.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
117
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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Literatures

PMID Publication Date Title Journal
21588041 2010-06-26 1,3-Bis(3,5-dimethyl-phen-yl)-5-methyl-benzene Acta crystallographica. Section E, Structure reports online
16555842 2006-03-30 Synthesis of a sterically crowded atropisomeric 1,8-diacridylnaphthalene for dual-mode enantioselective fluorosensing The Journal of organic chemistry
1355 1975-01-01 Investigations of the excretion of gamma-glutamyl-transpeptidase into the urine International urology and nephrology
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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