Ethyl 2-(2-iodophenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(2-iodophenyl)acetate
• CAS No.: 90794-29-9
• Molecular Formula: C10H11IO2
• Molecular Weight: 290.101
• European Community (EC) Number: 864-597-7
• DSSTox Substance ID: DTXSID90562460
• Nikkaji Number: J2.225.910E
• Wikidata: Q82446624
• Mol file: 90794-29-9.mol

Synonyms:Ethyl 2-(2-iodophenyl)acetate;90794-29-9;MFCD00099258;Benzeneacetic acid, 2-iodo-, ethyl ester;Ethyl (2-iodophenyl)acetate;Ethyl2-(2-iodophenyl)acetate;SCHEMBL5132516;DTXSID90562460;AKOS022187054;DS-8648;Ethyl 2-(2-iodophenyl)acetate, 95%;SY121376;CS-0041136;W17295

Chemical Property of Ethyl 2-(2-iodophenyl)acetate

Chemical Property:

• PSA: 26.30000
• LogP: 2.39680
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.98038
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(2-iodophenyl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=CC=C1I

Technology Process of Ethyl 2-(2-iodophenyl)acetate

There total 6 articles about Ethyl 2-(2-iodophenyl)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: 95.0%

ethanol (64-17-5) + o-iodophenylacetic acid (18698-96-9) → ethyl 2-(2-iodophenyl)acetate (90794-29-9)

Guidance literature:

With sulfuric acid; for 3h; Heating;

DOI:10.1021/ol051907a

Reference yield:

2-(2-iodophenyl)acetonitrile (40400-15-5) → ethyl 2-(2-iodophenyl)acetate (90794-29-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / HCl / 0 °C

2: 48 h / 20 °C

With hydrogenchloride; 1: Pinner synthesis;

DOI:10.1021/jo0526688

Reference yield:

ethyl (2-iodophenyl)iminoacetate hydrochloride + ethanol (64-17-5) → triethyl 2-(2-iodophenyl)orthoacetate (887699-73-2) + ethyl 2-(2-iodophenyl)acetate (90794-29-9)

Guidance literature:

at 20 ℃; for 48h; Title compound not separated from byproducts;

DOI:10.1021/jo0526688

upstream raw materials:

ethanol

o-iodophenylacetic acid

2-(2-iodophenyl)acetonitrile

ortho-methylphenyl iodide

Downstream raw materials:

ethyl 2-(2-(phenylethynyl)phenyl)acetate

ethyl 5-oxo-1,2,3,5-tetrahydropyrrolo[1,2-b]isoquinoline-10-carboxylate

C₁₅H₁₇NO₄

ethyl 2-(2-((3-methoxyphenyl)ethynyl)phenyl)acetate