Ethyl 3-hydroxy-4-iodobenzoate

Base Information

• Chemical Name: Ethyl 3-hydroxy-4-iodobenzoate
• CAS No.: 203187-56-8
• Molecular Formula: C9H9IO3
• Molecular Weight: 292.073
• DSSTox Substance ID: DTXSID90454795
• Wikidata: Q82276537
• Mol file: 203187-56-8.mol

Synonyms:Ethyl 3-hydroxy-4-iodobenzoate;203187-56-8;Benzoic acid,3-hydroxy-4-iodo-, ethyl ester;SCHEMBL1313506;DTXSID90454795;WDPARRIZBQXPSL-UHFFFAOYSA-N;AMY32194;3-Hydroxy-4-iodo-benzoic acid ethyl ester;3-Hydroxy-4-Iodobenzoic Acid Ethyl Ester;3-hydroxy -4-iodo-benzoic acid ethyl ester;CS-0436787;FT-0750822

Chemical Property of Ethyl 3-hydroxy-4-iodobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 119-120 °C
• Refractive Index: 1.616
• Boiling Point: 313.606 °C at 760 mmHg
• PKA: 7.75±0.10(Predicted)
• Flash Point: 143.464 °C
• PSA: 46.53000
• Density: 1.777 g/cm³
• LogP: 2.17350
• XLogP3: 2.4
• 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:

99% ^*data from raw suppliers

Ethyl3-hydroxy-4-iodobenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 3-hydroxy-4-iodobenzoate

There total 4 articles about Ethyl 3-hydroxy-4-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: 97.0%

ethanol (64-17-5) + 3-hydroxy-4-iodobenzoic acid (58123-77-6) → 4-iodo-3-hydroxybenzoic acid ethyl ester (203187-56-8)

Guidance literature:

With hydrogenchloride; Product distribution / selectivity; Heating / reflux;

Reference yield: 93.0%

3-hydroxy-4-iodobenzoic acid (58123-77-6) → 4-iodo-3-hydroxybenzoic acid ethyl ester (203187-56-8)

Guidance literature:

With hydrogenchloride; ethanol; for 48h; Heating / reflux;

Reference yield: 91.0%

(3E,5Z)-3-(ethoxycarbonyl)-6-iodo-3,5-hexadienoic acid → 4-iodo-3-hydroxybenzoic acid ethyl ester (203187-56-8)

Guidance literature:

(3E,5Z)-3-(ethoxycarbonyl)-6-iodo-3,5-hexadienoic acid; With triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; at 20 ℃; for 2h;

With sodium tetrahydroborate; In ethanol; at 0 ℃; for 1h; Further stages.;

DOI:10.1021/jo010552f

upstream raw materials:

ethanol

3-hydroxy-4-iodobenzoic acid

ethyl-3-hydroxybenzoate

Downstream raw materials:

3-ethoxy-4-iodo-benzoic acid ethyl ester

ethyl 2-phenylbenzofuran-6-carboxylate

(S)-ethyl 4-[8-amino-1,2,4,5-tetrahydro-2-(2-methylpropyl)-4-(3-methylbutyl)-3-oxo-3H-1,4-benzodiazepin-7-yl]-3-[2-(benzyloxy)ethoxy]benzoate

C₂₉H₄₁N₃O₅