4-(2-Methoxyphenyl)heptane-3,5-dione

Base Information

• Chemical Name: 4-(2-Methoxyphenyl)heptane-3,5-dione
• CAS No.: 20730-58-9
• Molecular Formula: C14H18O6
• Molecular Weight: 282.293
• Mol file: 20730-58-9.mol

Synonyms:Bosentan Impurity 19;Diethyl (2-methoxyphenoxy)malonate;Diethyl 2-(2-methoxyphenoxy)malonate;Diethyl (2-Methoxyphenoxy)propanedioate;diethyl 2-(2-methoxyphenoxy)propanedioate;2-(2-Methoxyphenoxy)malonic acid diethylester;2-(2-Methoxyphenoxy)propanedioic acid diethyl ester;2-(2-Methoxyphenoxy)propanedioic acid 1,3-diethyl ester;Propanedioic acid, 2-(2-methoxyphenoxy)-, 1,3-diethyl ester

Chemical Property of 4-(2-Methoxyphenyl)heptane-3,5-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 351.331oC at 760 mmHg
• PKA: 12.22±0.59(Predicted)
• Flash Point: 151.845oC
• PSA: 71.06000
• Density: 1.158g/cm3
• LogP: 1.56880

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Methoxyphenyl)heptane-3,5-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(2-Methoxyphenyl)heptane-3,5-dione

There total 5 articles about 4-(2-Methoxyphenyl)heptane-3,5-dione 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: 87.83%

2-methoxy-phenol (90-05-1) + Diethyl 2-bromomalonate (685-87-0) → 2-(2-Methoxyphenoxy)propanedioic acid diethyl ester (20730-58-9)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 13h;

Reference yield: 50.0%

diethyl 2-chloromalonate (14064-10-9) + 2-methoxy-phenol (90-05-1) → 2-(2-Methoxyphenoxy)propanedioic acid diethyl ester (20730-58-9)

Guidance literature:

With ethanol; sodium; at 20 ℃; for 120h; Heating / reflux;

Reference yield:

diethyl malonate (105-53-3) → 2-(2-Methoxyphenoxy)propanedioic acid diethyl ester (20730-58-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide; sulfuric acid / chloroform / 12 h / 50 °C

2: potassium carbonate / acetonitrile / 13 h / 80 °C

With N-Bromosuccinimide; sulfuric acid; potassium carbonate; In chloroform; acetonitrile;

upstream raw materials:

sodium 2-methoxyphenolate

diethyl 2-chloromalonate

2-methoxy-phenol

Diethyl 2-bromomalonate

Downstream raw materials:

2-(2-methoxyphenoxy)-1,3-propanediol

4,6-dihydroxy-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-pyrimidine

5-(o-methoxyphenoxy)-4,6-dihydroxy-2-methyl-pyrimidine

4,6-dihydroxy-5-(2-methoxyphenoxy)-2-methylthiopyrimidine