4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Base Information

Chemical Name:4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CAS No.:1161921-98-7
Molecular Formula:C₂₁H₁₆F₃N₃O₃S
Molecular Weight:447.438
Hs Code.:

Synonyms:4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

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Chemical Property of 4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

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Technology Process of 4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

There total 9 articles about 4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 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: 96.0%

: 1248520-96-8
allyl 4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

: 1161921-98-7
4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Guidance literature:: With morpholine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

Reference yield:

: 170572-49-3
2-fluoro-4-cyanotoluene

: 1161921-98-7
4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

1: N,N-dimethyl-formamide / 20 - 175 °C

2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 5 h / 10 - 20 °C

3: N,N-dimethyl-formamide / 7 h / 140 °C / Inert atmosphere

4: sodium periodate / water; tetrahydrofuran / 1 h / 20 °C

5: triethyl phosphate / tert-butyl methyl ether / 50 °C / Inert atmosphere; Reflux

6: morpholine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 20 °C / Inert atmosphere

With morpholine; sodium periodate; triethyl phosphate; 3-chloro-benzenecarboperoxoic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; dichloromethane; tert-butyl methyl ether; water; N,N-dimethyl-formamide;

Reference yield:

: 105942-10-7
3-fluoro-4-formylbenzonitrile

: 1161921-98-7
4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: dimethyl sulfoxide / 0.75 h / Cooling with ice

2: phosphorus pentoxide; triethyl phosphate / tert-butyl methyl ether / 50 °C / Inert atmosphere; Reflux

3: morpholine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 20 °C / Inert atmosphere

With morpholine; triethyl phosphate; phosphorus pentoxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; tert-butyl methyl ether; dimethyl sulfoxide;