2-Thiopheneboronic acid MIDA ester

Inquiry

Molecular Formula:

C9H10BNO4S

Molecular Weight:

239.06

CAS Number:

1158984-92-9

Catalog Number:

1158984-92-9

Product Information

Molecular Formula:

C9H10BNO4S

Molecular Weight:

239.06

Description

• Reactant for slow-release cross-coupling reactionsMIDA boronates as stable boronic acid surrogates for classically challenging cross-couplingsSuzuki Cross-Coupling with MIDA Boronates

Synonyms

1-methyl-5-thiophen-2-yl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octane-3,7-dione; 1158984-92-9; 4-Methyl-2,6-dioxo-8-(thiophen-2-yl)hexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide; AKOS022186443; ZINC170027132; AK146120

IUPAC Name

5-methyl-1-thiophen-2-yl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione

Canonical SMILES

[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC=CS3

InChI

InChI=1S/C9H10BNO4S/c1-11-5-8(12)14-10(11,15-9(13)6-11)7-3-2-4-16-7/h2-4H,5-6H2,1H3

InChI Key

FQBHBVFIFLJVGV-UHFFFAOYSA-N

Melting Point

189-194 °C

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

239.0423591 g/mol

Monoisotopic Mass

239.0423591 g/mol

Topological Polar Surface Area

80.8Å²

Heavy Atom Count

Formal Charge

Complexity

355

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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2-Thiopheneboronic acid MIDA ester

Product Information

Computed Properties

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