(rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]-3-methylurea

Base Information

• Chemical Name: (rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]-3-methylurea
• CAS No.: 1427314-29-1
• Molecular Formula: C₂₁H₂₁F₂N₅O₃S
• Molecular Weight: 461.492

Synonyms:(rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]-3-methylurea

Chemical Property of (rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]-3-methylurea

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Technology Process of (rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]-3-methylurea

There total 11 articles about (rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]-3-methylurea 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:

(rac)-5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-pyrimidin-2-amine (1427314-17-7) + methyl isocyanate (624-83-9) → (rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]-3-methylurea (1427314-29-1)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 17h;

Reference yield:

(rac)-ethyl [methyl(3-nitrobenzyl)oxido-λ6-sulfanylidene]carbamate (1414944-20-9) → (rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]-3-methylurea (1427314-29-1)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogenchloride; titanium(III) chloride / tetrahydrofuran / 18 h / 20 °C

2: potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-tri-i-propyl-1,1‘-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-t-butyl ether adduct; XPhos / 1-methyl-pyrrolidin-2-one; toluene / 3 h / 130 °C / Inert atmosphere; Microwave irradiation

3: sodium ethanolate / ethanol / 5 h / 60 °C / Inert atmosphere

4: triethylamine / N,N-dimethyl-formamide / 17 h / 20 °C

With hydrogenchloride; potassium phosphate; titanium(III) chloride; chloro(2-dicyclohexylphosphino-2’,4’,6’-tri-i-propyl-1,1‘-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-t-butyl ether adduct; sodium ethanolate; triethylamine; XPhos; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; ethanol; N,N-dimethyl-formamide; toluene;

Reference yield:

4-fluoro-2-methoxyphenylboronic acid (179899-07-1) → (rac)-1-[(3-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]-3-methylurea (1427314-29-1)

Guidance literature:

Multi-step reaction with 4 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / 1,2-dimethoxyethane / 16 h / 90 °C / Inert atmosphere

2: potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-tri-i-propyl-1,1‘-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-t-butyl ether adduct; XPhos / 1-methyl-pyrrolidin-2-one; toluene / 3 h / 130 °C / Inert atmosphere; Microwave irradiation

3: sodium ethanolate / ethanol / 5 h / 60 °C / Inert atmosphere

4: triethylamine / N,N-dimethyl-formamide / 17 h / 20 °C

With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; chloro(2-dicyclohexylphosphino-2’,4’,6’-tri-i-propyl-1,1‘-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-t-butyl ether adduct; sodium ethanolate; potassium carbonate; triethylamine; XPhos; In 1-methyl-pyrrolidin-2-one; 1,2-dimethoxyethane; ethanol; N,N-dimethyl-formamide; toluene;

upstream raw materials:

(rac)-2,2,2-trifluoro-N-[methyl(3-nitrobenzyl)oxido-λ⁶-sulfanylidene]acetamide

(rac)-1-[(S-methylsulfonimidoyl)methyl]-3-nitrobenzene

(rac)-ethyl [methyl(3-nitrobenzyl)oxido-λ⁶-sulfanylidene]carbamate

(rac)-ethyl [(3-aminobenzyl)(methyl)oxido-λ⁶-sulfanylidene]carbamate

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