4-ETHOXY-4-OXOBUTYLZINC BROMIDE

Inquiry

Molecular Formula:

C6H11BrO2Zn

Molecular Weight:

260.44

CAS Number:

131379-39-0

Catalog Number:

131379-39-0

Product Information

Molecular Formula:

C6H11BrO2Zn

Molecular Weight:

260.44

Description

4-Ethoxy-4-oxobutylzinc bromide can be used:• As an intermediate in one of the key synthetic steps for the preparation of acrylic acid derivatives as EP3 receptor antagonists.• As an intermediate in the final step of the total synthesis of a natural product mucosin.• As a substrate in the synthesis of multi-substituted haloalkenes by reacting with 1-haloalkenes via Negishi cross-coupling reaction.

Synonyms

4-ETHOXY-4-OXOBUTYLZINC BROMIDE; 4-ETHOXY-4-OXOBUTYLZINC BROMIDE, 0.5MSOL UTION IN TETRAHYDROFURAN; 4-ethoxy-4-oxobutylzinc bromide solution

IUPAC Name

bromozinc(1+)ethyl butanoate

Canonical SMILES

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

InChI

InChI=1S/C6H11O2.BrH.Zn/c1-3-5-6(7)8-4-2/h1,3-5H2,2H31H/q-1+2/p-1

InChI Key

XPARCVGSTPKNNR-UHFFFAOYSA-M

Density

0.976 g/mL at 25 °C

Appearance

Light to dark brown liquid

Storage

2-8°C

Safety Information

Hazards

H319 - H335 - H351

Precautionary Statement

P261 - P281 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

257.92338 g/mol

Monoisotopic Mass

257.92338 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

78.1

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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4-ETHOXY-4-OXOBUTYLZINC BROMIDE

Product Information

Safety Information

Computed Properties

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