(rac)-ethyl [(3-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]carbamate

Base Information

• Chemical Name: (rac)-ethyl [(3-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]carbamate
• CAS No.: 1414943-84-2
• Molecular Formula: C₂₁H₂₂FN₅O₄S
• Molecular Weight: 459.501

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

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

Chemical Property:

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

There total 3 articles about (rac)-ethyl [(3-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ⁶-sulfanylidene]carbamate 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)-2,2,2-trifluoro-N-[methyl(3-nitrobenzyl)oxido-λ6-sulfanylidene]acetamide (1414944-15-2) → (rac)-ethyl [(3-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]carbamate (1414943-84-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: potassium carbonate; methanol / 1 h / 20 °C

2.1: pyridine / 0 - 20 °C

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

3.2: pH 8 / Cooling with ice

4.1: N-ethyl-N,N-diisopropylamine / isopropyl alcohol; tetrahydrofuran / -40 - 0 °C

5.1: potassium carbonate; 1,2-dimethoxyethane / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1.33 h / 100 °C / Inert atmosphere

With hydrogenchloride; methanol; 1,2-dimethoxyethane; titanium(III) chloride; potassium carbonate; N-ethyl-N,N-diisopropylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; pyridine; water; isopropyl alcohol;

Reference yield:

(rac)-ethyl [methyl(3-nitrobenzyl)oxido-λ6-sulfanylidene]carbamate (1414944-20-9) → (rac)-ethyl [(3-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]carbamate (1414943-84-2)

Guidance literature:

Multi-step reaction with 3 steps

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

1.2: pH 8 / Cooling with ice

2.1: N-ethyl-N,N-diisopropylamine / isopropyl alcohol; tetrahydrofuran / -40 - 0 °C

3.1: potassium carbonate; 1,2-dimethoxyethane / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1.33 h / 100 °C / Inert atmosphere

With hydrogenchloride; 1,2-dimethoxyethane; titanium(III) chloride; potassium carbonate; N-ethyl-N,N-diisopropylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; water; isopropyl alcohol;

Reference yield:

(rac)-ethyl [(3-aminobenzyl)(methyl)oxido-λ6-sulfanylidene]carbamate (1414944-22-1) → (rac)-ethyl [(3-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]carbamate (1414943-84-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / isopropyl alcohol; tetrahydrofuran / -40 - 0 °C

2: potassium carbonate; 1,2-dimethoxyethane / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1.33 h / 100 °C / Inert atmosphere

With 1,2-dimethoxyethane; potassium carbonate; N-ethyl-N,N-diisopropylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; isopropyl alcohol;

upstream raw materials:

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

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

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

Downstream raw materials:

(rac)-4-(4-fluoro-2-methoxyphenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine

(rac)-4-{2-[(4-fluorobenzyl)oxy]phenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine

(rac)-N-{3-[(N,S-dimethylsulfonimidoyl)methyl]phenyl}-4-(4-fluoro-2-methoxyphenyl)-l,3,5-triazin-2-amine

(rac)-N-[(3-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]acetamide

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