Cyclobutylboronic Acid

Product Information

Molecular Formula:
C4H9O2B
Molecular Weight:
99.92
Description
Reagent used in palladium-catalyzed arylation and alkylation of diphenylisoxazole with boronic acids via C-H activated isoxazole palladacycle intermediate ; Reagent used in the preparation of cyclobutyl arenes and heteroarenes via palladium catalyzed Suzuki-Miyaura cross-coupling reaction of potassium cyclobutyltrifluoroborate intermediate with aryl and heteroaryl chlorides.
Synonyms
cyclobutylboronic acid; cyclobutylboronic acid
IUPAC Name
cyclobutylboronic acid
Canonical SMILES
B(C1CCC1)(O)O
InChI
InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2
InChI Key
MIUALDDWOKMYDA-UHFFFAOYSA-N
Boiling Point
218.7 °C at 760 mmHg
Melting Point
118-123 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.06 g/cm3
Appearance
Solid
Storage
2-8 °C
LogP
0.01330

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
1
Exact Mass
100.0695597 g/mol
Monoisotopic Mass
100.0695597 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
60.7
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-2022036204-A1 Compounds, compositions and methods 2020-08-14
JP-2022021687-A Method for Producing N-Substituted (Meta) Acrylamide 2020-07-22
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION 2020-06-22
US-2021387995-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4-b]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS 2020-06-16
WO-2021255608-A1 Methyl 2-methyl-5-oxo-1,4,5,7-tetradhydrofuro[3,4- b]pyridine-3-carboxylate compounds as cav1.2 activators 2020-06-16
WO-2021226206-A2 Cannabinoid receptor type 2 (cb2) modulators and uses thereof 2020-05-05
WO-2021182557-A1 Polarizing film and method for manufacturing same 2020-03-13
WO-2021123229-A1 Synthesis of lactone derivatives and their use in the modification of proteins 2019-12-20
WO-2021076938-A1 Tropolone derivatives and tautomers thereof for iron regulation in animals 2019-10-16
WO-2021072198-A1 Oral complement factor d inhibitors 2019-10-09
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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