3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid

Base Information

Chemical Name:3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid
CAS No.:960308-87-6
Molecular Formula:C₂₁H₁₆F₂N₄O₃S
Molecular Weight:442.446
Hs Code.:

Synonyms:3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid

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Chemical Property of 3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid

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Technology Process of 3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid

There total 9 articles about 3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic 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:

: 515131-35-8
4-methyl-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzoic acid

: 911370-59-7
5-chloro-1-(2,6-difluorophenyl)-7-(methylthio)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

: 960308-87-6
3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid

Guidance literature:: With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,3-dioxane; water; at 150 ℃; for 1h;

Reference yield:

: 357935-93-4
4-Chloro-6-(2,6-difluoro-phenylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile

: 960308-87-6
3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: borane-THF / tetrahydrofuran / 4 h / Heating / reflux

1.2: 0.5 h / 20 °C

1.3: pH 9.0 - 10.0

2.1: dichloromethane / 3 h / 20 °C

3.1: potassium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,3-dioxane; water / 1 h / 150 °C

With borane-THF; potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 1,3-dioxane; dichloromethane; water; 3.1: Suzuki Coupling;

Reference yield:

: 911370-60-0
5-(aminomethyl)-6-chloro-N-(2,6-difluorophenyl)-2-(methylthio)-4-pyrimidinamine

: 960308-87-6
3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: dichloromethane / 3 h / 20 °C

2: potassium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,3-dioxane; water / 1 h / 150 °C

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,3-dioxane; dichloromethane; water; 2: Suzuki Coupling;