(E)-2-Cyclopropylvinylboronic acid pinacol ester

Product Information

Molecular Formula:
C11H19O2B
Molecular Weight:
194.08
Description
(E)-2-Cyclopropylvinylboronic acid pinacol ester (CAS# 849061-99-0) is a useful research chemical.
Synonyms
2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C=CC2CC2
InChI
InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h7-9H,5-6H2,1-4H3/b8-7+
InChI Key
FCWYPDPDAZGFRJ-BQYQJAHWSA-N
Boiling Point
90-95 °C / 3-4 mmHg (lit.)
Flash Point
199.9 °F
Purity
96 %
Density
0.937 g/mL at 25 °C (lit.)
Appearance
Liquid
Refractive Index
n20/D 1.466 (lit.)
LogP
2.58400

Safety Information

Precautionary Statement
P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
194.1478100 g/mol
Monoisotopic Mass
194.1478100 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
238
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021249324-A1 Alkenyl pyrimidine compound, preparation method therefor, and application thereof 2020-06-08
WO-2021127499-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-12-18
WO-2021072198-A1 Oral complement factor d inhibitors 2019-10-09
WO-2021007477-A1 Indazoles and azaindazoles as lrrk2 inhibitors 2019-07-11
TW-202116754-A Indazoles and azaindazoles as lrrk2 inhibitors 2019-07-11
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-03-14
US-2020299246-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-03-14
WO-2020186199-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-03-14
TW-202100515-A Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-03-14
AU-2020234712-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-03-14
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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