3-Ethoxycarbonyl-5-methoxybenzoic acid

Base Information

• Chemical Name: 3-Ethoxycarbonyl-5-methoxybenzoic acid
• CAS No.: 367519-85-5
• Molecular Formula: C₁₁H₁₂O₅
• Molecular Weight: 224.213
• DSSTox Substance ID: DTXSID701264628
• Mol file: 367519-85-5.mol

Synonyms:367519-85-5;SCHEMBL4328949;DTXSID701264628;3-(Ethoxycarbonyl)-5-methoxybenzoicacid;3-(Ethoxycarbonyl)-5-methoxybenzoic acid;1-Ethyl 5-methoxy-1,3-benzenedicarboxylate

Chemical Property of 3-Ethoxycarbonyl-5-methoxybenzoic acid

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 224.06847348
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Ethoxycarbonyl-5-methoxybenzoic acid

There total 4 articles about 3-Ethoxycarbonyl-5-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: 82.0%

ethyl 5-(ethoxycarbonyl)-3-methoxybenzoate (201734-78-3) → 5-(ethoxycarbonyl)-3-methoxybenzoic acid (367519-85-5)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; ethanol; Heating;

DOI:10.1081/SCC-100104344

Reference yield: 81.0%

ethanol (64-17-5) + dimethyl 5-methoxyisophthalate (20319-44-2) → 5-(ethoxycarbonyl)-3-methoxybenzoic acid (367519-85-5)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; Heating;

DOI:10.1081/SCC-100104344

Reference yield:

Dimethyl 5-hydroxyisophthalate (13036-02-7) → 5-(ethoxycarbonyl)-3-methoxybenzoic acid (367519-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / K₂CO₃ / acetone / Heating

2: 81 percent / 85 percent KOH / tetrahydrofuran / Heating

With potassium hydroxide; potassium carbonate; In tetrahydrofuran; acetone;

DOI:10.1081/SCC-100104344

upstream raw materials:

ethanol

dimethyl 5-methoxyisophthalate

ethyl 5-(ethoxycarbonyl)-3-methoxybenzoate

Dimethyl 5-hydroxyisophthalate

Downstream raw materials:

5-formyl-3-methoxybenzoic acid

ethyl 5-formyl-3-methoxybenzoate