5-(3,5-Dimethoxyphenyl)-3-oxopentanenitrile

Base Information

• Chemical Name: 5-(3,5-Dimethoxyphenyl)-3-oxopentanenitrile
• CAS No.: 1000895-54-4
• Molecular Formula: C13H15NO3
• Molecular Weight: 233.267
• Hs Code.: 2926909090
• Mol file: 1000895-54-4.mol

Synonyms:5-(3,5-diMethoxyphenyl)-3-oxopentanenitrile

Chemical Property of 5-(3,5-Dimethoxyphenyl)-3-oxopentanenitrile

Chemical Property:

• Boiling Point: 374.2±32.0 °C(Predicted)
• PKA: 9.76±0.10(Predicted)
• PSA: 59.32000
• Density: 1.109±0.06 g/cm3(Predicted)
• LogP: 2.11918
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

5-(3,5-Dimethoxyphenyl)-3-oxopentanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(3,5-Dimethoxyphenyl)-3-oxopentanenitrile

There total 9 articles about 5-(3,5-Dimethoxyphenyl)-3-oxopentanenitrile 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: 81.0%

ethyl 2-cyano-5-(3,5-dimethoxyphenyl)-3-oxopentanoate → 5-(3,5-dimethoxyphenyl)-3-oxopentanenitrile (1000895-54-4)

Guidance literature:

In water; dimethyl sulfoxide; at 105 ℃; for 0.5h;

Reference yield: 73.0%

3-(3,5-dimethoxyphenyl)propionic acid ethyl ester (54901-09-6) + acetonitrile (75-05-8,26809-02-9) → 5-(3,5-dimethoxyphenyl)-3-oxopentanenitrile (1000895-54-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 3h; Inert atmosphere;

Reference yield: 44.0%

3-(3,5-dimethoxyphenyl)propionic acid ethyl ester (54901-09-6) → 5-(3,5-dimethoxyphenyl)-3-oxopentanenitrile (1000895-54-4)

Guidance literature:

acetonitrile; With sodium hydride; In toluene; at 18 - 25 ℃; for 0.5h;

3-(3,5-dimethoxyphenyl)propionic acid ethyl ester; In toluene; for 18h; Heating / reflux;

upstream raw materials:

3-(3,5-dimethoxyphenyl)propionic acid ethyl ester

acetonitrile

3,5-dimethoxybenzaldehdye

(E)-ethyl 3-(3,5-dimethoxyphenyl)acrylate

Downstream raw materials:

3-(3,5-dimethoxyphenylethyl)-1H-pyrazol-5-amine

rel-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzamide