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

CAS: 193065-68-8 Cat. No.: E465907 分子式: C₅H₉BrO₂Zn 分子量: 246.44 EC番号: 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

概要

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

同義語

(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

仕様と純度

0.5M in THF

法的情報

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

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: CCOC(=O)C[CH2-].[Zn+]Br
• PubChem CID: 3332879
• UN番号: 2924
• 包装グループ: II
• 分子量: 246.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.