3-Ethoxy-3-oxopropylzinc bromide solution

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Molecular Formula:

C2H5O2CCH2CH2ZnBr

Molecular Weight:

246.42

CAS Number:

193065-68-8

Catalog Number:

193065-68-8

Product Information

Molecular Formula:

C2H5O2CCH2CH2ZnBr

Molecular Weight:

246.42

Description

3-Ethoxy-3-oxopropylzinc bromide is a reagent used to insert ethyl propanoate group to the substrate. It can be used in:• Synthesis of γ-keto esters from aryl chlorides.• Synthesis of sulfones from 1,4-diazabicyclo[2.2.2]octane bis(sulfur dioxide) (DABSO) and alkyl halides.• Negishi cross-couplings with aryl vinyl phosphates to synthesize 1,1-disubstituted alkenes.

Synonyms

3-ETHOXY-3-OXOPROPYLZINC BROMIDE; bromozinc(1+); ethyl propanoate; Zinc, bromo(3-ethoxy-3-oxopropyl)-; (3-ethoxy-3-oxopropyl)zinc(II) bromide; 3-Ethoxy-3-oxopropylzinc bromide 0.5 M in Tetrahydrofuran; 3-ethoxy-3-oxopropylzincbromide; 2-(Ethoxycarbonyl)ethylzinc bromide; AKOS016018065; 2-(Ethoxycarbonyl)ethylzinc bromide, 0.5M in THF

IUPAC Name

bromozinc(1+)ethyl propanoate

Canonical SMILES

CCOC(=O)C[CH2-].[Zn+]Br

InChI

InChI=1S/C5H9O2.BrH.Zn/c1-3-5(6)7-4-2/h1,3-4H2,2H31H/q-1+2/p-1

InChI Key

APPDFGHVJHZDKS-UHFFFAOYSA-M

Flash Point

1.4 °F - closed cup

Density

0.972 g/mL at 25 °C

Storage

2-8°C

Safety Information

Hazards

H225 - H302 - H314 - H335 - H351

Precautionary Statement

P210 - P260 - P280 - P305 + P351 + P338 - P370 + P378 - P403 + P235

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

243.90773 g/mol

Monoisotopic Mass

243.90773 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

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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3-Ethoxy-3-oxopropylzinc bromide solution

Product Information

Safety Information

Computed Properties

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