3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile

Base Information

• Chemical Name: 3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile
• CAS No.: 81762-36-9
• Molecular Formula: C₁₂H₇N₃O₃
• Molecular Weight: 241.206
• Mol file: 81762-36-9.mol

Synonyms:3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile

Chemical Property of 3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile

There total 1 articles about 3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile 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: 86.0%

BARBITURIC ACID (67-52-7,944357-77-1) + 3-Cyanobenzaldehyde (24964-64-5) → 3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile (81762-36-9)

Guidance literature:

In water; for 12h; Reflux;

Reference yield: 89.0%

3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile (81762-36-9) → 5-(3-Cyanobenzyl)-hexahydropyrimidin-2,4,6-trion (81762-42-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In 1,4-dioxane;

DOI:10.1002/ardp.19823150412

Reference yield:

3-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzonitrile (81762-36-9) → 2,4,6-Trioxo-hexahydropyrimidin-5-yl-3-methyl-benzamidin

Guidance literature:

Multi-step reaction with 3 steps

1: 89 percent / H₂ / 10percent Pd/C / dioxane

2: HCl / dioxane / 5 °C

3: NH₃ / methanol / 1 h / 60 °C

With hydrogenchloride; ammonia; hydrogen; palladium on activated charcoal; In 1,4-dioxane; methanol;

DOI:10.1002/ardp.19823150412

upstream raw materials:

BARBITURIC ACID

3-Cyanobenzaldehyde

Downstream raw materials:

5-(3-Cyanobenzyl)-hexahydropyrimidin-2,4,6-trion