4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile

Base Information

• Chemical Name: 4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile
• CAS No.: 671775-86-3
• Molecular Formula: C₂₁H₁₆F₃N₃O₂
• Molecular Weight: 399.372

Synonyms:4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile

Chemical Property of 4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile

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Technology Process of 4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile

There total 1 articles about 4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}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: 29.0%

N-(3-trifluoromethylphenyl)urea (13114-87-9) + 4-cyanobenzaldehyde (105-07-7) + acetylacetone (123-54-6,81235-32-7) → 4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile (671775-86-3)

Guidance literature:

With polyphosphoric acid ethyl ester; In tetrahydrofuran; for 4h; Heating / reflux;

Reference yield: 69.0%

4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile (671775-86-3) + bromoacetic acid methyl ester (96-32-2) → methyl [5-acetyl-6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydro-pyrimidin-1(2H)-yl]acetate (864151-38-2)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 100 ℃; for 3h;

Reference yield: 61.0%

4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile (671775-86-3) + allyl bromide (106-95-6) → 4-{5-acetyl-3-allyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃;

upstream raw materials:

N-(3-trifluoromethylphenyl)urea

4-cyanobenzaldehyde

acetylacetone

Downstream raw materials:

methyl [5-acetyl-6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydro-pyrimidin-1(2H)-yl]acetate

4-{(4R)-5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile

{(6R)-5-acetyl-6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl}acetic acid

tert-butyl {(6R)-5-acetyl-6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl}acetate

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