Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester

Base Information

• Chemical Name: Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester
• CAS No.: 59701-66-5
• Molecular Formula: C₁₂H₁₄O₅
• Molecular Weight: 238.24
• DSSTox Substance ID: DTXSID50208418
• Wikidata: Q83082535
• Mol file: 59701-66-5.mol

Synonyms:Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester;59701-66-5;SCHEMBL11580979;DTXSID50208418;DDZBYCVFPQTSNL-UHFFFAOYSA-N;methyl 3-(2-hydroxy-5-methoxybenzoyl)propionate

Chemical Property of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 2.17E-06mmHg at 25°C
• Boiling Point: 382.3°Cat760mmHg
• Flash Point: 145.2°C
• PSA: 72.83000
• Density: 1.213g/cm³
• LogP: 1.53670
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 238.08412354
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)O)C(=O)CCC(=O)OC

Technology Process of Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester

There total 3 articles about Propionic acid, 3-(6-hydroxy-m-anisoyl)-, methyl ester 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: 58.0%

Succinic acid 4-methoxy-phenyl ester methyl ester (75501-53-0) → Methyl 4-(2-Hydroxy-5-methoxyphenyl)-4-oxobutanoate (59701-66-5)

Guidance literature:

In ethanol; Irradiation;

DOI:10.1016/0040-4039(80)80024-4

Reference yield:

methanol (67-56-1) + 4-(2-Hydroxy-5-methoxyphenyl)-4-oxobutanoic Acid (75501-54-1) → Methyl 4-(2-Hydroxy-5-methoxyphenyl)-4-oxobutanoate (59701-66-5)

Guidance literature:

With sulfuric acid; for 4h; Heating;

DOI:10.1007/BF00811125

Reference yield:

→ Methyl 4-(2-Hydroxy-5-methoxyphenyl)-4-oxobutanoate (59701-66-5)

Guidance literature:

aus Propionsaeure VI und Dimethylsulfat;

DOI:10.1246/bcsj.49.737

upstream raw materials:

methanol

4-(2-Hydroxy-5-methoxyphenyl)-4-oxobutanoic Acid

Succinic acid 4-methoxy-phenyl ester methyl ester

Downstream raw materials:

5-(2'-acetoxy-5'-methoxyphenyl)-2(3H)-furanone

4-(2-Hydroxy-5-methoxyphenyl)-4-oxobutanoic Acid