2-Iodoethyl acetate

Base Information

• Chemical Name: 2-Iodoethyl acetate
• CAS No.: 627-10-1
• Molecular Formula: C4H7IO2
• Molecular Weight: 214.003
• Nikkaji Number: J96.176K
• Mol file: 627-10-1.mol

Synonyms:2-iodoethyl acetate;627-10-1;2-iodo-1-ethanol acetate;Acetic acid, 2-iodoethyl ester;.beta.-Iodoethyl acetate;Acetic acid 2-iodoethyl ester;SCHEMBL410452;EN300-7582611

Chemical Property of 2-Iodoethyl acetate

Chemical Property:

• Boiling Point: 95-96 °C(Press: 43 Torr)
• PSA: 57.53000
• Density: 1.831±0.06 g/cm3(Predicted)
• LogP: 0.50460
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.94908
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCI

Technology Process of 2-Iodoethyl acetate

There total 6 articles about 2-Iodoethyl acetate 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: 54.9%

ethylene glycol divinyl ether (764-78-3,50856-26-3) + acetyl iodide (507-02-8) → vinyl acetate (108-05-4,9003-20-7) + vinyliodide (593-66-8) + 2-iodoethyl acetate (627-10-1)

Guidance literature:

In dichloromethane; at 10 ℃;

DOI:10.1023/B:RUJO.0000036063.58577.17

Reference yield:

ethylene glycol (107-21-1) + acetic acid (64-19-7,77671-22-8) → Iodoethanol (624-76-0) + 2-iodoethyl acetate (627-10-1) + 2-hydroxyethyl acetate (542-59-6) + ethylene glycol diacetate (111-55-7,27252-83-1)

Guidance literature:

With deuterium iodide; In water; at 20 ℃; for 25h; Autoclave;

DOI:10.1002/chem.201203069

Reference yield:

ethene (74-85-1) + acetic acid (64-19-7,77671-22-8) → 2-iodoethyl acetate (627-10-1) + 2-hydroxyethyl acetate (542-59-6) + ethylene glycol diacetate (111-55-7,27252-83-1) + ethylene glycol (107-21-1)

Guidance literature:

With oxygen; manganese(II) acetate; potassium iodide; at 140 ℃; for 0.25h; Yield given. Yields of byproduct given;

DOI:10.1246/bcsj.54.3200

upstream raw materials:

2-methyl-1,3-dioxolane

ethene

acetic acid

ethylene glycol divinyl ether

Downstream raw materials:

C₁₀H₈Cl₄N₂O₄

2-(2-Bromo-ethyl)-5,5-dimethyl-cyclohexanone

but-3-yn-1-yl acetate

ethyl 1-(2-acetoxyethyl)-6-(2,4-dichlorobenzoyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

Refernces

• 1、 Voronkov,Trukhina,Vlasova. "Acyl iodides in organic synthesis: VI. Reactions with vinyl ethers". . p. 467 - 469. Retrieved 2007/10/03.
• 2、 Shimizu, Kazuo,Imamura, Juichi. "Synthesis of Ethylene Glycol Acetates Catalyzed by Potassium Iodide and Metal Acetate". . p. 3200 - 3204. Retrieved 2007/10/02.