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
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
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114016060-A | Synthetic method of phenolic compound | 2021-11-23 |
| CN-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-113511970-A | Synthetic method of aryl-substituted alkyne | 2021-06-10 |
| CN-113402412-A | (E) Method for synthesizing (beta) -fluoroacrylamide derivative | 2021-06-10 |
| CN-113201027-A | Metal complex and application thereof | 2021-05-20 |
| CN-113214326-A | Metal complex, organic electroluminescent device and application | 2021-05-20 |
| CN-113116744-A | Active peptide skin care product capable of improving skin pigmentation and preparation process thereof | 2021-03-19 |
| CN-112961140-A | Naphthoquinone heterocyclic compound and application thereof | 2021-02-08 |
| CN-112920221-A | Chiral phosphoric acid with spiro-bis-dihydrobenzothiole skeleton and preparation method and application thereof | 2021-01-26 |
| CN-113769778-A | Chiral 3-amino-4-aryl pyridine nitrogen-oxygen catalyst and application thereof in tetrazole hemiacetal amine ester reaction | 2021-01-06 |
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 |
