3-Hydroxy-5-iodo-4-methoxybenzoic acid

Base Information

• Chemical Name: 3-Hydroxy-5-iodo-4-methoxybenzoic acid
• CAS No.: 80547-64-4
• Molecular Formula: C8H7IO4
• Molecular Weight: 294.046
• ChEMBL ID: CHEMBL89875
• DSSTox Substance ID: DTXSID70513192
• Wikidata: Q82372858
• Mol file: 80547-64-4.mol

Synonyms:3-hydroxy-5-iodo-4-methoxybenzoic acid;80547-64-4;CHEMBL89875;DTXSID70513192;BDBM50405312;3-Hydroxy-5-iodo-4-methoxy-benzoic acid

Chemical Property of 3-Hydroxy-5-iodo-4-methoxybenzoic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 293.93891
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1I)C(=O)O)O

Technology Process of 3-Hydroxy-5-iodo-4-methoxybenzoic acid

There total 3 articles about 3-Hydroxy-5-iodo-4-methoxybenzoic acid 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: 26.0%

3-hydroxy-5-iodo-4-methoxybenzaldehyde (54246-07-0) → 3-hydroxy-5-iodo-4-methoxybenzoic acid (80547-64-4)

Guidance literature:

With sodium hydroxide; silver nitrate; at 55 ℃; for 0.25h;

DOI:10.1021/jm00345a012

Reference yield:

acetic acid 5-formyl-2-methoxy-3-nitrophenyl ester (80547-72-4) → 3-hydroxy-5-iodo-4-methoxybenzoic acid (80547-64-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Sn, 48percent HBr / 0.67 h / 65 °C

3: 26 percent / AgNO₃, aq. NaOH / 0.25 h / 55 °C

With sodium hydroxide; tin; hydrogen bromide; silver nitrate;

DOI:10.1021/jm00345a012

Reference yield:

Acetic acid 3-amino-5-formyl-2-methoxy-phenyl ester (343948-92-5) → 3-hydroxy-5-iodo-4-methoxybenzoic acid (80547-64-4)

Guidance literature:

Multi-step reaction with 2 steps

2: 26 percent / AgNO₃, aq. NaOH / 0.25 h / 55 °C

With sodium hydroxide; silver nitrate;

DOI:10.1021/jm00345a012

upstream raw materials:

3-hydroxy-5-iodo-4-methoxybenzaldehyde

acetic acid 5-formyl-2-methoxy-3-nitrophenyl ester

Acetic acid 3-amino-5-formyl-2-methoxy-phenyl ester