1,3-Dimethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Base Information

• Chemical Name: 1,3-Dimethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• CAS No.: 66941-04-6
• Molecular Formula: C11H18N2O3
• Molecular Weight: 0
• Mol file: 66941-04-6.mol

Synonyms:BARBITURIC ACID,1,3-DIMETHYL-5-ISOPENTYL;5-isopentyl-1,3-dimethyl-barbituric acid;5-Isopentyl-1,3-dimethyl-barbitursaeure;1,3-Dimethyl-5-isopentylbarbituric acid;Barbituric acid,3-dimethyl-5-isopentyl;

Chemical Property of 1,3-Dimethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Chemical Property:

• Vapor Pressure: 0.00122mmHg at 25°C
• Boiling Point: 299.1°C at 760 mmHg
• Flash Point: 114.8°C
• PSA: 57.69000
• Density: 1.1g/cm³
• LogP: 0.96500

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Dimethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione

There total 5 articles about 1,3-Dimethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione 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:

diethyl isopentylmalonate (5398-08-3) + N,N'-Dimethylurea (96-31-1) → 5-isopentyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (66941-04-6)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/ja01847a008

Reference yield:

1,3-dimethylbarbituric acid (769-42-6) → 5-isopentyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (66941-04-6)

Guidance literature:

Multi-step reaction with 2 steps

1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 18.08 h / 0 - 20 °C

2: acetic acid; sodium cyanoborohydride / 2 h / 20 °C

With dmap; sodium cyanoborohydride; acetic acid; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1002/anie.201306484

Reference yield:

5-(1-hydroxy-3-methylbutylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione → 5-isopentyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (66941-04-6)

Guidance literature:

With sodium cyanoborohydride; acetic acid; at 20 ℃; for 2h;

DOI:10.1002/anie.201306484

upstream raw materials:

diethyl isopentylmalonate

N,N'-Dimethylurea

1,3-dimethylbarbituric acid

3-methylbutyric acid