Iodozinc(1+) 3-(ethoxycarbonyl)benzen-1-ide

Base Information

• Chemical Name: Iodozinc(1+) 3-(ethoxycarbonyl)benzen-1-ide
• CAS No.: 282727-18-8
• Molecular Formula: C₉H₉IO₂Zn
• Molecular Weight: 341.464
• DSSTox Substance ID: DTXSID50398924
• Mol file: 282727-18-8.mol

Synonyms:Iodozinc(1+) 3-(ethoxycarbonyl)benzen-1-ide;ethyl benzoate;iodozinc(1+);DTXSID50398924

Chemical Property of Iodozinc(1+) 3-(ethoxycarbonyl)benzen-1-ide

Chemical Property:

• Vapor Pressure: 0.18mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: 2.54670
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 339.89387
• Heavy Atom Count: 13
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

3-(Ethoxycarbonyl)phenylzinc iodide solution 0.5M in THF ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C,Xn
• Statements: 11-14-19-34-40-36/37
• Safety Statements: 16-26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C[C-]=C1.[Zn+]I

Technology Process of Iodozinc(1+) 3-(ethoxycarbonyl)benzen-1-ide

There total 1 articles about Iodozinc(1+) 3-(ethoxycarbonyl)benzen-1-ide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-iodobenzoic acid methyl ester (58313-23-8) + zinc (7440-66-6) → (3-(ethoxycarbonyl)phenyl)zinc(II) iodide (282727-18-8)

Guidance literature:

With indium(III) chloride; chloro-trimethyl-silane; lithium chloride; In tetrahydrofuran; at 250 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c00729

Reference yield: 80.0%

(3-(ethoxycarbonyl)phenyl)zinc(II) iodide (282727-18-8) + bromoacetic acid tert-butyl ester (5292-43-3) → ethyl 3-((2-(tert-butoxy)-2-oxoethyl)sulfonyl)benzoate (1504589-20-1)

Guidance literature:

(3-(ethoxycarbonyl)phenyl)zinc(II) iodide; With 1,4-diazabicyclo[2.2.2]octane-triethylenediamine-bis(sulfur dioxide); In tetrahydrofuran; at 21 ℃; for 0.283333h; Inert atmosphere;

bromoacetic acid tert-butyl ester; In tetrahydrofuran; dimethyl sulfoxide; at 70 ℃; for 1h;

DOI:10.1021/ol4031233

upstream raw materials:

3-iodobenzoic acid methyl ester

zinc

Downstream raw materials:

ethyl 3-((2-(tert-butoxy)-2-oxoethyl)sulfonyl)benzoate

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