Ethyl 2-hydroxy-5-iodobenzoate

Base Information

• Chemical Name: Ethyl 2-hydroxy-5-iodobenzoate
• CAS No.: 15125-84-5
• Molecular Formula: C9H9IO3
• Molecular Weight: 292.073
• DSSTox Substance ID: DTXSID80515167
• Nikkaji Number: J2.346.768B
• Wikidata: Q82375921
• Mol file: 15125-84-5.mol

Synonyms:ethyl 2-hydroxy-5-iodobenzoate;15125-84-5;2-hydroxy-5-iodobenzoic acid ethyl ester;Ethyl 2-hydroxy-5-iodo-benzoate;ethyl 5-iodosalicylate;ethyl2-hydroxy-5-iodobenzoate;SCHEMBL3895902;DTXSID80515167;WKGNZGPAJWJRDO-UHFFFAOYSA-N;ethyl 5-iodanyl-2-oxidanyl-benzoate;MFCD06204739;AKOS015843514;DS-17814;CS-0151825;FT-0654110;I11795;A809141

Chemical Property of Ethyl 2-hydroxy-5-iodobenzoate

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• PSA: 46.53000
• LogP: 2.17350
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 291.95964
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

BENZOICACID,2-HYDROXY-5-IODO-,ETHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-hydroxy-5-iodobenzoate

There total 5 articles about Ethyl 2-hydroxy-5-iodobenzoate 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: 90.0%

2-hydroxy-benzoic acid ethyl ester (118-61-6) → ethyl 2-hydroxy-5-iodobenzoate (15125-84-5)

Guidance literature:

With N-iodo-succinimide; trifluoroacetic acid; at 20 ℃; for 3h; regioselective reaction;

DOI:10.1002/ejoc.201700173

Reference yield: 87.5%

→ ethyl 2-hydroxy-5-iodobenzoate (15125-84-5)

Guidance literature:

Reference yield: 66.0%

ethanol (64-17-5) + 2-hydroxy-5-iodobenzoic acid (119-30-2) → ethyl 2-hydroxy-5-iodobenzoate (15125-84-5)

Guidance literature:

With sulfuric acid; for 24h; Reflux;

DOI:10.2147/DDDT.S319287

upstream raw materials:

ethanol

2-hydroxy-5-iodobenzoic acid

ethyl iodide

5-Aminosalicylic Acid

Downstream raw materials:

2-<4-Jod-2-ethoxycarbonyl-phenoxy>-essigsaeure-hydrazid

5-ethynyl-2-hydroxy-benzoic acid ethyl ester

ethyl 2-hydroxy-5-[[4-[(3-methyl-2-pyridinylamino)sulfonyl]phenyl]ethynyl]benzoate

C₅₇H₄₂O₉