3-Ethoxy-3-oxopropylzinc bromide - 0.5M in THF , CAS No.193065-68-8

CAS: 193065-68-8 Cat. No.: E465907 Summenformel: C₅H₉BrO₂Zn Molekulargewicht: 246.44 EG-Nummer: 677-761-6 PubChem CID: 3332879

GRADE & PURITY 0.5M in THF

Synonyms

(3-ethoxy-3-oxopropyl)zinc(II) bromide | 2-(Ethoxycarbonyl)ethylzinc bromide | 3-Ethoxy-3-oxopropylzinc bromide 0.5 M in Tetrahydrofuran | 3-ethoxy-3-oxopropylzincbromide | MFCD00671976 | AKOS016018065 | 3-Ethoxy-3-oxopropylzinc bromide, 0.50 M in THF | 3

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

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.

Specifications

Synonyme

(3-ethoxy-3-oxopropyl)zinc(II) bromide | 2-(Ethoxycarbonyl)ethylzinc bromide | 3-Ethoxy-3-oxopropylzinc bromide 0.5 M in Tetrahydrofuran | 3-ethoxy-3-oxopropylzincbromide | MFCD00671976 | AKOS016018065 | 3-Ethoxy-3-oxopropylzinc bromide, 0.50 M in THF | 3

Spezifikationen & Reinheit

0.5M in THF

Rechtliche Informationen

Rieke Metals, Inc.公司产品。Rieke 是Rieke Metals, Inc.公司的注册商标。

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C[CH2-].[Zn+]Br
• IUPAC Name: bromozinc(1+);ethyl propanoate
• InChIKey: APPDFGHVJHZDKS-UHFFFAOYSA-M
• INCHI: 1S/C5H9O2.BrH.Zn/c1-3-5(6)7-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
• Isomere SMILES: CCOC(=O)C[CH2-].[Zn+]Br
• PubChem CID: 3332879
• UN-Nummer: 2924
• Verpackungsgruppe: II
• Molekulargewicht: 246.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Organic transition metal salts Organic metal halides Organic metal bromide salts Monocarboxylic acids and derivatives Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Organic metal halide - Organic metal bromide salt - Organic metal salt - Organic transition metal salt - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 246.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.908 Da
• Monoisotopic Mass: 243.908 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 68.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Häufig gestellte Fragen

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 193065-68-8, the molecular formula is C5H9BrO2Zn, and the molecular weight is 246.44 g/mol. InChIKey APPDFGHVJHZDKS-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.