Ethyl 5-formyl-2-hydroxybenzoate

Base Information

• Chemical Name: Ethyl 5-formyl-2-hydroxybenzoate
• CAS No.: 41489-78-5
• Molecular Formula: C10H10O4
• Molecular Weight: 194.18400
• DSSTox Substance ID: DTXSID901301547
• Nikkaji Number: J414.081H
• Mol file: 41489-78-5.mol

Synonyms:ethyl 5-formyl-2-hydroxybenzoate;41489-78-5;2-Hydroxy-5-formylbenzoic acid ethyl ester;ethyl5-formyl-2-hydroxybenzoate;SCHEMBL4755004;SUQKXSPBCYWEGU-UHFFFAOYSA-N;5-Formylsalicylic acid ethyl ester;DTXSID901301547;s11640;DA-06008;CS-0452282

Chemical Property of Ethyl 5-formyl-2-hydroxybenzoate

Chemical Property:

• Melting Point: 69 °C
• Boiling Point: 308.1±27.0 °C(Predicted)
• PKA: 7.74±0.18(Predicted)
• PSA: 63.60000
• Density: 1.261±0.06 g/cm3(Predicted)
• LogP: 1.38140
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 5-formyl-2-hydroxybenzoate

There total 5 articles about Ethyl 5-formyl-2-hydroxybenzoate 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: 80.0%

2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate (2009-81-6) + ethyl acetoacetate (141-97-9) → 5-formyl-2-hydroxy-benzoic acid ethyl ester (41489-78-5)

Guidance literature:

2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate; ethyl acetoacetate; With sodium ethanolate; In ethanol; at 80 ℃; for 4h;

With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2006.02.101

Reference yield: 14.0%

ethanol (64-17-5) + 2-hydroxy-5-formylbenzoic acid (616-76-2) → 5-formyl-2-hydroxy-benzoic acid ethyl ester (41489-78-5)

Guidance literature:

With sulfuric acid; Heating;

Reference yield:

2-hydroxy-5-formylbenzoic acid (616-76-2) → 5-formyl-2-hydroxy-benzoic acid ethyl ester (41489-78-5)

Guidance literature:

With sulfuric acid; sodium hydrogencarbonate; In ethanol;

upstream raw materials:

ethanol

2-hydroxy-5-formylbenzoic acid

ethyl iodide

2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate

Downstream raw materials:

amino-(3-carboxy-4-hydroxy-phenyl)-acetic acid

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