Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate

Base Information

• Chemical Name: Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate
• CAS No.: 4842-11-9
• Molecular Formula: C₁₃H₁₅IO₅
• Molecular Weight: 378.164
• DSSTox Substance ID: DTXSID40197524
• Wikidata: Q83070366
• Mol file: 4842-11-9.mol

Synonyms:Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate;4842-11-9;DTXSID40197524

Chemical Property of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate

Chemical Property:

• Vapor Pressure: 2.8E-06mmHg at 25°C
• Boiling Point: 389.7°C at 760 mmHg
• Flash Point: 189.5°C
• PSA: 61.83000
• Density: 1.555g/cm³
• LogP: 2.27110
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 377.99642
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCOC(=O)C1=C(C=C(C=C1)C(=O)OC)I

Technology Process of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate

There total 2 articles about Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate 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:

5-iodo-isophthalic acid dimethyl ester (51839-15-7) → 3-Jod-5-methoxycarbonyl-benzoesaeure-(2-aethoxy-aethylester) (4842-11-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / dimethylformamide

2: dimethylformamide

With sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1021/jm00319a050

Reference yield:

2-ethoxyethyl p-toluenesulfonate (17178-11-9) + sodium 3-iodo-5-(methoxycarbonyl)benzoate (4862-88-8) → 3-Jod-5-methoxycarbonyl-benzoesaeure-(2-aethoxy-aethylester) (4842-11-9)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1021/jm00319a050

upstream raw materials:

2-ethoxyethyl p-toluenesulfonate

sodium 3-iodo-5-(methoxycarbonyl)benzoate

5-iodo-isophthalic acid dimethyl ester