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1-Cyclopentyl-1H-pyrazole-4-boronic acid pinacol ester

1-Cyclopentyl-1H-pyrazole-4-boronic acid pinacol ester

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Molecular Formula:

C14H23BN2O2

Molecular Weight:

262.16

CAS Number:

1233526-60-7

Catalog Number:

1233526-60-7

Product Information

Molecular Formula:

C14H23BN2O2

Molecular Weight:

262.16

Description

1-Cyclopentyl-1H-pyrazole-4-boronic acid pinacol ester is a specialized reagent in medicinal chemistry, used in Suzuki-Miyaura Cross-coupling reactions. It's particularly effective in the synthesis of bioactive molecules often involved in anticancer and antiviral treatments.

Synonyms

1-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

IUPAC Name

1-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCCC3

InChI

InChI=1S/C14H23BN2O2/c1-13(2)14(3,4)19-15(18-13)11-9-16-17(10-11)12-7-5-6-8-12/h9-10,12H,5-8H2,1-4H3

InChI Key

OCBNABJVDPSMQY-UHFFFAOYSA-N

Melting Point

40-44 °C

Flash Point

Not applicable

Purity

97%

Storage

2-8°C

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.1852581 g/mol

Monoisotopic Mass

262.1852581 g/mol

Topological Polar Surface Area

36.3Å²

Heavy Atom Count

Formal Charge

Complexity

326

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-2021395251-A1	Naphthyridinone compounds as jak2 v617f inhibitors	2020-06-19
CN-110862390-A	Fused tricyclic compound and application thereof in medicines	2018-08-28
WO-2020043080-A1	Fused tricyclic compounds and uses thereof in medicine	2018-08-28
US-2021236493-A1	Fused tricyclic compounds and uses thereof in medicine	2018-08-28
EP-3601267-A1	2-methyl-quinazolines	2017-03-21
WO-2018172250-A1	2-methyl-quinazolines	2017-03-21
AU-2017381629-A1	Carboxylic acid aromatic amides as antagonists of Bradykinin B1 receptor	2016-12-23
EP-3558960-B1	Carboxylic acid aromatic amides as antagonists of bradykinin b1 receptor	2016-12-23
JP-2019519484-A	Aromatic sulfonamide derivative	2016-05-03
US-2019119210-A1	Aromatic sulfonamide derivatives	2016-05-03

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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