Ethyl 2-iodo-5-nitrobenzoate

Base Information

• Chemical Name: Ethyl 2-iodo-5-nitrobenzoate
• CAS No.: 835916-53-5
• Molecular Formula: C9H8INO4
• Molecular Weight: 321.071
• DSSTox Substance ID: DTXSID00467412
• Nikkaji Number: J2.168.939D
• Wikidata: Q82294352
• Mol file: 835916-53-5.mol

Synonyms:ethyl 2-iodo-5-nitrobenzoate;835916-53-5;2-Iodo-5-nitro-benzoic acid ethyl ester;ethyl2-iodo-5-nitrobenzoate;SCHEMBL17737229;DTXSID00467412;AKOS009471094;DS-13240

Chemical Property of Ethyl 2-iodo-5-nitrobenzoate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 320.94981
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-iodo-5-nitrobenzoate

There total 3 articles about Ethyl 2-iodo-5-nitrobenzoate 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: 84.0%

ethyl 2-iodobenzoate (1829-28-3) → ethyl 2-iodo-5-nitrobenzoate (835916-53-5)

Guidance literature:

With sulfuric acid; nitric acid; at 75 ℃; for 12h;

DOI:10.1021/jo048132o

Reference yield: 59.0%

ethanol (64-17-5) + 2-iodo-5-nitro-benzoic acid (19230-50-3) → ethyl 2-iodo-5-nitrobenzoate (835916-53-5)

Guidance literature:

With acetyl chloride; for 24h; Reflux;

DOI:10.1021/acs.joc.0c00542

Reference yield:

2-Iodobenzoic acid (88-67-5) → ethyl 2-iodo-5-nitrobenzoate (835916-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / 135 °C

2: sulfuric acid

With sulfuric acid; nitric acid;

DOI:10.1002/hlca.19300130304

upstream raw materials:

ethanol

2-iodo-5-nitro-benzoic acid

ethyl 2-iodobenzoate

2-Iodobenzoic acid