Cyclopropylboronic acid pinacol ester

Product Information

Molecular Formula:
C9H17BO2
Molecular Weight:
168.04
Description
Cyclopropylboronic acid pinacol ester can be used:• As a cyclopropylating reagent in the study of thiophenol S-cyclopropylation, catalyzed by copper(II) acetate.• In one of the key synthetic steps for the preparation of 5-lipoxygenase activating protein (FLAP) inhibitor.
Synonyms
CYCLOPROPYLBORONIC ACID PINACOL ESTER; 2-CYCLOPROPYL-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; 2-CYCLOPROPYLBORONIC ACID, PINACOL ESTER; AKOS BRN-0606; 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-; (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane
IUPAC Name
2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC2
InChI
InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
InChI Key
XGBMQBPLWXTEPM-UHFFFAOYSA-N
Boiling Point
146°C
Flash Point
104.0 °F
Purity
97%
Density
0.922
Appearance
colorless to brown liquid
Storage
Refrigerator
Refractive Index
n20/D 1.433

Safety Information

Hazards
H226
Precautionary Statement
P210

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
168.1321599 g/mol
Monoisotopic Mass
168.1321599 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
181
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-112457289-A Cyclopropyl thiophene methylamine compound or pharmaceutically acceptable salt thereof and application thereof 2020-11-24
US-2022064188-A1 Vinyl imidazole compounds as inhibitors of kras 2020-08-28
WO-2022047093-A1 Vinyl imidazole compounds as inhibitors of kras 2020-08-28
WO-2022036204-A1 Compounds, compositions and methods 2020-08-14
WO-2021245087-A1 Heterocyclyl pyrimidines and triazines as novel fungicides 2020-06-04
CN-113717156-A EGFR inhibitor, preparation method and application thereof 2020-05-25
US-2021323947-A1 Antiviral 1,3-di-oxo-indene compounds 2020-04-20
TW-202138364-A Egfr inhibitors 2019-12-23
WO-2021127499-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-12-18
WO-2021105474-A1 New compounds for treatment of diseases related to dux4 expression 2019-11-29
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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