2-Ethylphenylboronic Acid

Product Information

Molecular Formula:
C8H11O2B
Molecular Weight:
149.98
Description
Reactant for: Palladium-catalyzed cross-coupling; Enantioselective Hayashi-Miyaura reaction; Pd-catalyzed Suzuki-Miyaura reaction.
Synonyms
(2-ethylphenyl)boronic acid; (2-ethylphenyl)boronic acid
IUPAC Name
(2-ethylphenyl)boronic acid
Canonical SMILES
B(C1=CC=CC=C1CC)(O)O
InChI
InChI=1S/C8H11BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key
QSSPYZOSTJDTTL-UHFFFAOYSA-N
Boiling Point
299.1 °C at 760 mmHg
Melting Point
102.5-107.5 °C (lit.)
Density
1.07 g/cm3
LogP
-0.07120

Safety Information

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
2
Rotatable Bond Count
2
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
WO-2022049534-A1 Polymorphic forms of a rorγ inhibiting compound and processes for its preparation 2020-09-03
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-111517905-A Synthesis method of trans-4- (4-alkenyl cyclohexyl) -1,1' -biphenyl compound 2020-05-26
WO-2021154966-A1 Compounds and compositions for use in treating skin disorders 2020-01-29
CN-111171721-A Ceramizable ablation-resistant coating and preparation method thereof 2020-01-22
CN-111171721-B Ceramizable ablation-resistant coating and preparation method thereof 2020-01-22
CN-110819023-A Low-dielectric-loss resin-based composite material and preparation method and application thereof 2019-11-19
CN-110819023-B Low-dielectric-loss resin-based composite material and preparation method and application thereof 2019-11-19
WO-2021041671-A1 Kras g12d inhibitors 2019-08-29
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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