1-Phenylpyrrole-2-boronic acid pinacol ester

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Product Information

Molecular Formula:
C16H20BNO2
Molecular Weight:
269.15
Description
1-Phenylpyrrole-2-boronic acid pinacol ester is a pharmaceutical intermediate often used in biomedical research related to cancer therapy. It plays a crucial role in the chemical synthesis of certain anti-cancer drugs, particularly tyrosine kinase inhibitors.
Synonyms
1-Phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole
IUPAC Name
1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2C3=CC=CC=C3
InChI
InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)14-11-8-12-18(14)13-9-6-5-7-10-13/h5-12H,1-4H3
InChI Key
VNVCVJBYXTXQRQ-UHFFFAOYSA-N
Melting Point
123-127 °C
Flash Point
Not applicable
Purity
95%
Storage
−20°C

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
269.1587090 g/mol
Monoisotopic Mass
269.1587090 g/mol
Topological Polar Surface Area
23.4Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
336
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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