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1-(Phenylsulfonyl)-3-indolylboronic acid MIDA ester

1-(Phenylsulfonyl)-3-indolylboronic acid MIDA ester

Inquiry

Molecular Formula:

C19H17BN2O6S

Molecular Weight:

412.22

CAS Number:

1158984-95-2

Catalog Number:

1158984-95-2

Product Information

Molecular Formula:

C19H17BN2O6S

Molecular Weight:

412.22

Description

MIDA boronate for slow-release cross-couplingMIDA boronates as stable boronic acid surrogates for classically challenging cross-couplings.Suzuki Cross-Coupling with MIDA Boronates
Excludes solvent of crystallization. May contain up to 1.2 mole equivalence DMSO

Synonyms

1-(Phenylsulfonyl)indole-2-boronic acid MIDA ester, 1-(Phenylsulfonyl)indole-2-boronic acid, Methyliminodiacetic acid anhydride

IUPAC Name

2-[1-(benzenesulfonyl)indol-2-yl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H17BN2O6S/c1-21-12-18(23)27-20(28-19(24)13-21)17-11-14-7-5-6-10-16(14)22(17)29(25,26)15-8-3-2-4-9-15/h2-11H,12-13H2,1H3

InChI Key

MESWPWMZFWLPMN-UHFFFAOYSA-N

Melting Point

159-165 °C

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

412.0900376 g/mol

Monoisotopic Mass

412.0900376 g/mol

Topological Polar Surface Area

103Å²

Heavy Atom Count

Formal Charge

Complexity

716

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

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-(Phenylsulfonyl)-3-indolylboronic acid MIDA ester

Product Information

Computed Properties

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