Methyl 5-acetyl-2-methoxybenzoate

Base Information

• Chemical Name: Methyl 5-acetyl-2-methoxybenzoate
• CAS No.: 39971-36-3
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2918990090
• European Community (EC) Number: 254-721-2
• UNII: 6US6NQJ3TQ
• DSSTox Substance ID: DTXSID20193009
• Nikkaji Number: J236.508A
• Wikidata: Q83065721
• Mol file: 39971-36-3.mol

Synonyms:Methyl 5-acetyl-2-methoxybenzoate;39971-36-3;6US6NQJ3TQ;Benzoic acid, 5-acetyl-2-methoxy-, methyl ester;EINECS 254-721-2;methyl5-acetyl-2-methoxybenzoate;UNII-6US6NQJ3TQ;SCHEMBL129159;KPDRDAXDDZAPHS-UHFFFAOYSA-;Methyl 5acetyl-2-methoxybenzoate;DTXSID20193009;Methyl 2-methoxy-5-acetylbenzoate;MFCD00008746;AKOS015959805;5-Acetyl-2-methoxybenzoic acid methyl ester;CS-0195944;E89327

Chemical Property of Methyl 5-acetyl-2-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0.000115mmHg at 25°C
• Refractive Index: 1.51
• Boiling Point: 336 °C at 760 mmHg
• Flash Point: 148.9 °C
• PSA: 52.60000
• Density: 1.138 g/cm³
• LogP: 1.68440
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 5-acetyl-2-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 5-acetyl-2-methoxybenzoate

There total 7 articles about Methyl 5-acetyl-2-methoxybenzoate 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: 97.0%

estere metilico dell'acido 5-acetilsalicilico (16475-90-4) → 5-acetyl-2-methoxybenzoic acid methyl ester (39971-36-3)

Guidance literature:

estere metilico dell'acido 5-acetilsalicilico; With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

methyl halide; In N,N-dimethyl-formamide; at 50 ℃; for 5h;

DOI:10.1002/cjoc.201180470

Reference yield: 96.5%

estere metilico dell'acido 5-acetilsalicilico (16475-90-4) + methyl iodide (74-88-4) → 5-acetyl-2-methoxybenzoic acid methyl ester (39971-36-3)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide;

Reference yield:

estere metilico dell'acido 5-acetilsalicilico (16475-90-4) → 5-acetyl-2-methoxybenzoic acid methyl ester (39971-36-3)

Guidance literature:

With caesium carbonate; methyl iodide; In N,N-dimethyl-formamide;

upstream raw materials:

diazomethane

3-carboxy-4-methoxy-acetophenone

methanol

4-methoxy-1,3-benzenedicarbonyl dichloride

Downstream raw materials:

5-bromoacetyl-2-methoxy-benzoic acid methyl ester

3-carboxy-4-methoxy-acetophenone

methyl 5-(2-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)acetyl)-2-(methoxy)benzoate

5-(2-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)acetyl)-2-(methoxy)benzoic acid

Refernces

• 1、 -. "Compounds for the treatment of metabolic disorders". Page/Page column 104; 105. . Retrieved 2016/03/12.
• 2、 -. "COMPOSITION AND PROCESS - 356". Page/Page column 32. . Retrieved 2009/12/28.