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

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

Inquiry

Molecular Formula:

C10H15BO2S

Molecular Weight:

210.10

Product Information

Molecular Formula:

C10H15BO2S

Molecular Weight:

210.10

Description

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene is a boron compound that plays a crucial role in the pharmaceutical industry. It's primarily used as a reactant in Suzuki-Miyaura cross-coupling reactions, a valuable tool in the creation of cancer-treating drugs.

Synonyms

2-thiopheneboronic acid pinacol ester; Thiophene-2-boronic acid pinacol ester; 4,4,5,5-tetramethyl-2-(thiophen-2-yl)-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(2-thienyl)-1,3,2-dioxaborolane; 2-(Thiopheneboronic acid)pinacol ester; 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane; thiophene-2-boronic acid, pinacol ester; 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene; 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-thienyl)-

IUPAC Name

4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CS2

InChI

InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3

InChI Key

FFZHICFAHSDFKZ-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H301

Precautionary Statement

P301 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

210.0885811 g/mol

Monoisotopic Mass

210.0885811 g/mol

Topological Polar Surface Area

46.7Å²

Heavy Atom Count

Formal Charge

Complexity

214

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

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CN-112745284-A	Natural chalcone derivative and preparation method and application thereof	2020-12-28
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CN-111793065-A	Spirocyclic aromatic organic conjugated micromolecular thermoelectric material and preparation and application thereof	2020-07-31
CN-111793065-B	Spirocyclic aromatic organic conjugated micromolecular thermoelectric material and preparation and application thereof	2020-07-31
CN-113929688-A	Pyrazolopyrimidine compounds as ATR kinase inhibitors	2020-07-13
WO-2022012484-A1	Pyrazolopyrimidine compound used as atr kinase inhibitor	2020-07-13
CN-111285859-A	2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof	2020-04-02
CN-111285859-B	2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof	2020-04-02

Literatures

PMID	Publication Date	Title	Journal
22199981	2011-12-01	2,2'-(3,3'-Dihexyl-2,2'-bithio-phene-5,5'-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane)	Acta crystallographica. Section E, Structure reports online

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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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