Ethyl 2-(4-iodophenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(4-iodophenyl)acetate
• CAS No.: 15250-46-1
• Molecular Formula: C10H11IO2
• Molecular Weight: 290.101
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00566358
• Nikkaji Number: J1.845.086K
• Wikidata: Q82451946
• Mol file: 15250-46-1.mol

Synonyms:ethyl 2-(4-iodophenyl)acetate;15250-46-1;ethyl (4-iodophenyl)acetate;4-Iodophenylacetic acid ethyl ester;(4-Iodo-phenyl)-acetic acid ethyl ester;Ethyl 4-Iodophenylacetate;MFCD07779004;Benzeneacetic acid, 4-iodo-, ethyl ester;Ethyl 4-(Iodophenyl)acetate;ethyl2-(4-iodophenyl)acetate;SCHEMBL530141;DTXSID00566358;YDJDSUNRSIVGMI-UHFFFAOYSA-N;AC2275;AKOS015910536;AS-8003;Benzeneacetic acid,4-iodo-,ethyl ester;SB33833;SY041746;CS-0084634;A883902

Chemical Property of Ethyl 2-(4-iodophenyl)acetate

Chemical Property:

• Boiling Point: 288.637 °C at 760 mmHg
• Flash Point: 128.363 °C
• PSA: 26.30000
• Density: 1.604 g/cm³
• LogP: 2.39680
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.98038
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

Ethyl (4-iodophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=C(C=C1)I

Technology Process of Ethyl 2-(4-iodophenyl)acetate

There total 7 articles about Ethyl 2-(4-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: 98.0%

Ethyl 4-bromophenylacetate (14062-25-0) → ethyl (4-iodophenyl)acetate (15250-46-1)

Guidance literature:

With trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(l) iodide; sodium iodide; In 1,4-dioxane; at 110 ℃;

DOI:10.1021/ja028865v

Reference yield: 98.0%

→ ethyl (4-iodophenyl)acetate (15250-46-1)

Guidance literature:

Reference yield: 97.0%

ethanol (64-17-5) + (4-iodophenyl)acetic acid (1798-06-7) → ethyl (4-iodophenyl)acetate (15250-46-1)

Guidance literature:

With sulfuric acid; for 5h; Heating;

DOI:10.1021/jm050257d

upstream raw materials:

Ethyl 4-bromophenylacetate

ethyl (4-amino-3,5-dibromophenyl)acetate

ethanol

(4-iodophenyl)acetic acid

Downstream raw materials:

(4-iodo-phenyl)-malonic acid diethyl ester

(+/-)-α-bromo-(4-iodophenyl)acetic acid ethyl ester

N-[4-(4-{1-[(tert-butyl-dimethyl-silanyloxy)-acetyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-phenyl)-5-oxo-5H-isoxazol-2-ylmethyl]-acetamide

N-{5-oxo-4-[4-(1,2,3,6-tetrahydro-pyridin-4-yl)-phenyl]-5H-isoxazol-2-ylmethyl}-acetamide