5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrimidin-2(1H)-one

Base Information

• Chemical Name: 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrimidin-2(1H)-one
• CAS No.: 315240-35-8
• Molecular Formula: C₁₆H₂₀N₂O₅
• Molecular Weight: 320.345
• DSSTox Substance ID: DTXSID701320545
• ChEMBL ID: CHEMBL1884225
• Mol file: 315240-35-8.mol

Synonyms:5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrimidin-2(1H)-one;315240-35-8;5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one;Cambridge id 6663697;MLS000709629;CHEMBL1884225;DTXSID701320545;HMS2726G19;AKOS000715159;AKOS016082160;SMR000288096;AB00114912-01;SR-01000445817;SR-01000445817-1;F0842-0080

Chemical Property of 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrimidin-2(1H)-one

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 320.13722174
• Heavy Atom Count: 23
• Complexity: 491

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C

Technology Process of 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrimidin-2(1H)-one

There total 1 articles about 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrimidin-2(1H)-one 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: 89.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + urea (57-13-6) + acetylacetone (123-54-6,81235-32-7) → 5-acetyl-6-methyl-2-oxo-4-(3',4',5'-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine (315240-35-8)

Guidance literature:

With encapsulated polymeric nebivolol nanoparticles; In neat (no solvent); at 70 ℃; for 0.333333h; Green chemistry;

DOI:10.1139/cjc-2017-0621

Reference yield: 89.0%

5-acetyl-6-methyl-2-oxo-4-(3',4',5'-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine (315240-35-8) → 3,7a-dimethyl-4-(3,4,5-trimethoxy-phenyl)-4,5,7,7a-tetrahydro-3aH-isoxazolo[5,4-d]pyrimidin-6-one

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; Heating;

Reference yield: 82.0%

5-acetyl-6-methyl-2-oxo-4-(3',4',5'-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine (315240-35-8) → 5-(1-hydrazonoethyl)-6-methyl-4-(3',4',5'-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one

Guidance literature:

With hydrazine hydrate; In 1,4-dioxane; Heating;

upstream raw materials:

3,4,5-trimethoxy-benzaldehyde

urea

acetylacetone