Methyl 4,7-dihydroxy-1-benzothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 4,7-dihydroxy-1-benzothiophene-2-carboxylate
• CAS No.: 80427-78-7
• Molecular Formula: C10H8O4S
• Molecular Weight: 224.237
• DSSTox Substance ID: DTXSID40511701
• Wikidata: Q82370627

Synonyms:Methyl 4,7-dihydroxy-1-benzothiophene-2-carboxylate;80427-78-7;DTXSID40511701

Chemical Property of Methyl 4,7-dihydroxy-1-benzothiophene-2-carboxylate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 224.01432991
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=CC(=C2S1)O)O

Technology Process of Methyl 4,7-dihydroxy-1-benzothiophene-2-carboxylate

There total 1 articles about Methyl 4,7-dihydroxy-1-benzothiophene-2-carboxylate 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:

2-formyl-1,4-benzoquinone (26172-03-2) → methyl 4,7-dihydroxybenzothiophene-2-carboxylate (80427-78-7)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene / 24 h / Ambient temperature

2: 97 percent / anhydrous sodium acetate / 1 h / Heating

3: 97 percent / sulphuric acid / methanol / 2 h / Heating

With sulfuric acid; sodium acetate; In methanol; benzene;

Reference yield:

4-trans-pentylcyclohexane-1-carboxylic acid (38289-29-1,38792-89-1,67589-84-8) + methyl 4,7-dihydroxybenzothiophene-2-carboxylate (80427-78-7) → C34H48O6S

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere; Cooling;

upstream raw materials:

2-formyl-1,4-benzoquinone

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