trans-1-Hepten-1-ylboronic acid pinacol ester

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Molecular Formula:

C13H25BO2

Molecular Weight:

224.15

CAS Number:

169339-75-7

Catalog Number:

169339-75-7

Product Information

Molecular Formula:

C13H25BO2

Molecular Weight:

224.15

Description

Substrate used in a palladium-catalyzed cross-coupling with olefins providing substituted 1,3-dienes.

Synonyms

E-2-(1-Heptenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, trans-1-Heptenylboronic acid pinacol ester

IUPAC Name

2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=CCCCCC

InChI

InChI=1S/C13H25BO2/c1-6-7-8-9-10-11-14-15-12(2,3)13(4,5)16-14/h10-11H,6-9H2,1-5H3/b11-10+

InChI Key

XHEDFAYNMNXKGM-ZHACJKMWSA-N

Boiling Point

73-77 °C/0.4-0.5 mmHg

Flash Point

222.8 °F

Purity

97%

Density

0.875 g/mL at 25 °C

Refractive Index

n20/D 1.445

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

224.1947602 g/mol

Monoisotopic Mass

224.1947602 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

230

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

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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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trans-1-Hepten-1-ylboronic acid pinacol ester

Product Information

Computed Properties

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