1-Phenylvinylboronic acid MIDA ester

Inquiry

Molecular Formula:

C13H14BNO4

Molecular Weight:

259.07

CAS Number:

1257651-50-5

Catalog Number:

1257651-50-5

Product Information

Molecular Formula:

C13H14BNO4

Molecular Weight:

259.07

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

6-Methyl-2-(1-phenylethenyl)-1,3,6,2-dioxazaborocane-4,8-dione; 1-Phenylvinylboronic acid MIDA ester, 97%; 2-(1-Phenylethenyl)-6-methyl-5,6,7,8-tetrahydro-4H-1,3,6,2-dioxazaborocine-4,8-dione

IUPAC Name

6-methyl-2-(1-phenylethenyl)-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C(=C)C2=CC=CC=C2

InChI

InChI=1S/C13H14BNO4/c1-10(11-6-4-3-5-7-11)14-18-12(16)8-15(2)9-13(17)19-14/h3-7H,1,8-9H2,2H3

InChI Key

LDAWJVVAQPYNSX-UHFFFAOYSA-N

Melting Point

186-190 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

259.1015881 g/mol

Monoisotopic Mass

259.1015881 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

359

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
CN-109293692-B	Gem-difluoroalkyl borate compounds and preparation method and application thereof	2018-10-09

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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