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

Base Information

• Chemical Name: 4-Hydroxy-3-iodo-5-methoxybenzoic acid methyl ester
• CAS No.: 281191-65-9
• Molecular Formula: C9H9 I O4
• Molecular Weight: 308.073
• DSSTox Substance ID: DTXSID90699346
• Wikidata: Q82630236
• Mol file: 281191-65-9.mol

Synonyms:4-HYDROXY-3-IODO-5-METHOXYBENZOIC ACID METHYL ESTER;281191-65-9;methyl 4-hydroxy-3-iodo-5-methoxybenzoate;SCHEMBL401621;Benzoic acid,4-hydroxy-3-iodo-5-methoxy-, methyl ester;DTXSID90699346;WMPWEALBPHHIGS-UHFFFAOYSA-N;FT-0742145

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

Chemical Property:

• PSA: 55.76000
• LogP: 1.79200
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 307.95456
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

4-HYDROXY-3-IODO-5-METHOXYBENZOIC ACID METHYL ESTER 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1)C(=O)OC)I)O

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

There total 1 articles about 4-Hydroxy-3-iodo-5-methoxybenzoic acid methyl ester 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: 82.0%

4-hydroxy-3-methoxybenzoic acid methyl ester (3943-74-6) → methyl 4-hydroxy-3-iodo-5-methoxybenzoate (281191-65-9)

Guidance literature:

With 2,2'-azinobis(3-ethylbenzthiazolinesulfonate); laccase; potassium iodide; In dimethyl sulfoxide; at 20 ℃; for 36h; pH=5; Enzymatic reaction;

DOI:10.1039/c9ra02541c

Reference yield: 70.0%

methyl 4-hydroxy-3-iodo-5-methoxybenzoate (281191-65-9) + acetyl chloride (75-36-5) → 4-acetoxy-3-iodo-5-methoxy-benzoic acid methyl ester (259739-83-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; dichloromethane; at 20 ℃; for 5h;

DOI:10.1021/ol000087t

Reference yield: 67.0%

methyl 4-hydroxy-3-iodo-5-methoxybenzoate (281191-65-9) → 4-hydroxy-3-iodo-5-methoxy-benzoic acid (98554-57-5)

Guidance literature:

With lithium hydroxide; In water;

DOI:10.1016/j.bmcl.2006.09.077

upstream raw materials:

4-hydroxy-3-methoxybenzoic acid methyl ester

Downstream raw materials:

4-acetoxy-3-iodo-5-methoxy-benzoic acid methyl ester

4-hydroxy-3-iodo-5-methoxy-benzoic acid

3-iodo-5-methoxy-4-methoxymethoxybenzoic acid methyl ester

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