Ethyl 5-acetyl-2-hydroxybenzoate

Base Information

• Chemical Name: Ethyl 5-acetyl-2-hydroxybenzoate
• CAS No.: 16475-93-7
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• DSSTox Substance ID: DTXSID401302283
• Mol file: 16475-93-7.mol

Synonyms:Ethyl 5-acetyl-2-hydroxybenzoate;16475-93-7;ethyl 5-acetylsalicylate;SCHEMBL3893649;Ethyl5-acetyl-2-hydroxybenzoate;ethyl 2-hydroxy-5-acetylbenzoate;DTXSID401302283;5-Acetyl-2-hydroxy-benzoic acid ethyl ester;5-Acetyl-2-hydroxybenzoic acid, ethyl ester

Chemical Property of Ethyl 5-acetyl-2-hydroxybenzoate

Chemical Property:

• Melting Point: 62 - 63 °C (diethyl ether)
• PSA: 63.60000
• LogP: 1.77150
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

Ethyl5-acetyl-2-hydroxybenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 5-acetyl-2-hydroxybenzoate

There total 3 articles about Ethyl 5-acetyl-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: 88.0%

acetyl chloride (75-36-5) + 2-hydroxy-benzoic acid ethyl ester (118-61-6) → 5-acetyl-2-hydroxybenzoic acid ethyl ester (16475-93-7)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 6h;

Reference yield:

ethanol (64-17-5) + 5-acetylsalicylic acid (13110-96-8) → 5-acetyl-2-hydroxybenzoic acid ethyl ester (16475-93-7)

Guidance literature:

With sulfuric acid;

Reference yield:

→ 5-acetyl-2-hydroxybenzoic acid ethyl ester (16475-93-7)

Guidance literature:

Ethyl-p-acetylphenylcarbonat (VIIIf), Eg., h*ν, (neben einer vergleichbaren Menge von XIf);

upstream raw materials:

ethanol

5-acetylsalicylic acid

acetyl chloride

2-hydroxy-benzoic acid ethyl ester

Downstream raw materials:

ethyl 5-acetyl-2-(benzyloxy)benzoate

2-hydroxy-5-(2-bromoacetyl)benzoic acid ethyl ester

ethyl 2-(bezyloxy)-5-(2-bromoacetyl)benzoate

α1-(aminomethyl)-4-(benzyloxy)-1,3-benzenedimethanol

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