2,5-Dimethylphenylboronic Acid
Product Information
Molecular Formula
C8H11O2B
Molecular Weight
149.98
Description
Reactant for: Friedel-Crafts alkylation; Suzuki-Miyaura coupling.
Synonyms
(2,5-dimethylphenyl)boronic acid; (2,5-dimethylphenyl)boronic acid
IUPAC Name
(2,5-dimethylphenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1)C)C)(O)O
InChI
InChI=1S/C8H11BO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,10-11H,1-2H3
InChI Key
OOMZKLJLVGQZGV-UHFFFAOYSA-N
Boiling Point
305.1 °C at 760 mmHg
Melting Point
186-191 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
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
127
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 |
|---|---|---|
| WO-2022047230-A1 | Compounds, compositions and methods for histone lysine demethylase inhibition | 2020-08-28 |
| JP-2022022902-A | Compound with fluorene skeleton | 2020-07-10 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| CN-111410603-A | Benzanthrone derivative, preparation method thereof and application thereof in functional pigment | 2020-04-20 |
| TW-202134398-A | Organic electroluminescent devices and material thereof | 2020-03-12 |
| US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2021142252-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| JP-2021031401-A | Compounds having a fluorene skeleton and methods for producing them | 2019-08-19 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5826 | 1975-02-01 | [The meaning of the normal values of the ejaculate for fertility] | Zeitschrift fur Hautkrankheiten |
