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1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester

1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester

Inquiry

Molecular Formula:

C13H21BN2O4

Molecular Weight:

280.13

Product Information

Molecular Formula:

C13H21BN2O4

Molecular Weight:

280.13

Description

1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester is a specialty chemical used in pharmaceutical production. Primarily, it's employed as an intermediate in the synthesis of various drug molecules, especially in the development of anti-cancer drugs.

Synonyms

1-(1,3-Dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-[1,3]DIOXOLAN-2-YLMETHYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER; 1-((1,3-dioxolan-2-yl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-(1,3-dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid pinacol ester; 1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid,pinacol ester

IUPAC Name

1-(1,3-dioxolan-2-ylmethyl)-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)CC3OCCO3

InChI

InChI=1S/C13H21BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-15-16(8-10)9-11-17-5-6-18-11/h7-8,11H,5-6,9H2,1-4H3

InChI Key

IWEGDQUCWQFKHS-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

280.1594373 g/mol

Monoisotopic Mass

280.1594373 g/mol

Topological Polar Surface Area

54.7Å²

Heavy Atom Count

Formal Charge

Complexity

344

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-10081637-B2	Pyrazole compounds as modulators of FSHR and uses thereof	2013-06-24
US-2016152626-A1	Pyrazole compounds as modulators of fshr and uses thereof	2013-06-24
US-2018354965-A1	Pyrazole compounds as modulators of fshr and uses thereof	2013-06-24
WO-2014209980-A1	Pyrazole compounds as modulators of fshr and uses thereof	2013-06-24
AU-2012259333-A1	Pyridine-and pyrazine derivatives	2011-05-23
AU-2012259333-A2	Pyridine-and pyrazine derivatives	2011-05-23
AU-2012259333-B2	Pyridine-and pyrazine derivatives	2011-05-23
DK-2714677-T3	PYRIDINE AND PYRAZINE DERIVATIVES	2011-05-23
EA-023364-B1	DERIVATIVES OF PYRIDINE AND PYRAZINE	2011-05-23
EP-2714677-A1	Pyridine-and pyrazine derivatives	2011-05-23

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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1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester

Product Information

Computed Properties

Patents

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