Methyl 2-hydroxy-4-(methylthio)benzoate

Base Information

• Chemical Name: Methyl 2-hydroxy-4-(methylthio)benzoate
• CAS No.: 95420-73-8
• Molecular Formula: C9H10O3S
• Molecular Weight: 198.243
• DSSTox Substance ID: DTXSID80541183
• Wikidata: Q82417453
• Mol file: 95420-73-8.mol

Synonyms:Methyl 2-hydroxy-4-(methylthio)benzoate;95420-73-8;SCHEMBL3152318;DTXSID80541183;DVTOGCSCXCSZCD-UHFFFAOYSA-N;methyl 2-hyroxy-4-(methylthio)benzoate;Methyl 2-hydroxy-4-(methylsulfanyl)benzoate;2-Hydroxy-4-methylsulfanyl-benzoic acid methyl ester

Chemical Property of Methyl 2-hydroxy-4-(methylthio)benzoate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.03506535
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)SC)O

Technology Process of Methyl 2-hydroxy-4-(methylthio)benzoate

There total 3 articles about Methyl 2-hydroxy-4-(methylthio)benzoate 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-4-(methylthio)benzoic acid (67127-67-7) + dimethyl sulfate (77-78-1) → 2-hydroxy-4-(methylthio)benzoic acid methyl ester (95420-73-8)

Guidance literature:

With potassium carbonate; for 2.5h; Ambient temperature;

DOI:10.1021/jm00383a006

Reference yield: 63.0%

methanol (67-56-1) + 2-hydroxy-4-(methylthio)benzoic acid (67127-67-7) → 2-hydroxy-4-(methylthio)benzoic acid methyl ester (95420-73-8)

Guidance literature:

With thionyl chloride; at 65 ℃;

Reference yield:

3-methylsulfanylphenol (3463-03-4) → 2-hydroxy-4-(methylthio)benzoic acid methyl ester (95420-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / K₂CO₃ / 5 h / 200 °C / 25857.4 Torr

2: 90 percent / K₂CO₃ / 2.5 h / Ambient temperature

With potassium carbonate;

DOI:10.1021/jm00383a006

upstream raw materials:

2-hydroxy-4-(methylthio)benzoic acid

dimethyl sulfate

3-methylsulfanylphenol

methanol

Downstream raw materials:

2-(4-Methanesulfinyl-2-propoxy-phenyl)-3H-imidazo[4,5-c]pyridine

2-(4-Methylsulfanyl-2-propoxy-phenyl)-3H-imidazo[4,5-c]pyridine

4-(methylthio)-2-n-propoxybenzoic acid

4-(methylthio)-2-n-propoxybenzoic acid methyl ester