N₁-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N₃-methylmalonamide

Base Information

• Chemical Name: N₁-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N₃-methylmalonamide
• CAS No.: 1264835-94-0
• Molecular Formula: C₄₀H₄₀N₆O₆S
• Molecular Weight: 732.86

Synonyms:N₁-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N₃-methylmalonamide

Chemical Property of N₁-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N₃-methylmalonamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N₁-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N₃-methylmalonamide

There total 7 articles about N₁-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N₃-methylmalonamide 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: 26.0%

3-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(N-(methylsulfonyl)methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenylamino)-3-oxopropanoic acid (1264836-32-9) + methylamine (74-89-5) → N1-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N3-methylmalonamide (1264835-94-0)

Guidance literature:

3-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(N-(methylsulfonyl)methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenylamino)-3-oxopropanoic acid; methylamine; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃;

With water; acetic acid; In [D₃]acetonitrile; for 0.25h; pH=2.8;

Reference yield:

N-(3-((4-(allyloxy)benzyl)(4-cyanobenzyl)amino)-2-methylphenyl)methanesulfonamide (1264836-26-1) → N1-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N3-methylmalonamide (1264835-94-0)

Guidance literature:

Multi-step reaction with 7 steps

1.1: triethylamine / dichloromethane / 40 °C

2.1: phenylsilane / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / dichloromethane / 4 h / 20 °C / Inert atmosphere

3.1: triethylamine; pyridine / copper diacetate / dichloromethane / 48 h / 20 °C / Molecular sieve

4.1: ammonium chloride; iron / ethyl acetate; ethanol; water / 1 h / 75 °C

5.1: triethylamine / dichloromethane / 0 - 20 °C

6.1: water; lithium hydroxide / tetrahydrofuran / 3 h / 20 °C

6.2: pH 2

7.1: N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide; tetrahydrofuran / 20 °C

7.2: 0.25 h / pH 2.8

With pyridine; phenylsilane; water; iron; ammonium chloride; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; N-ethyl-N,N-diisopropylamine; lithium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper diacetate; In tetrahydrofuran; ethanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

N-(3-((4-cyanobenzyl)(4-hydroxybenzyl)amino)-2-methylphenyl)-N-(methylsulfonyl)methanesulfonamide (1264836-27-2) → N1-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenyl)-N3-methylmalonamide (1264835-94-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: triethylamine; pyridine / copper diacetate / dichloromethane / 48 h / 20 °C / Molecular sieve

2.1: ammonium chloride; iron / ethyl acetate; ethanol; water / 1 h / 75 °C

3.1: triethylamine / dichloromethane / 0 - 20 °C

4.1: water; lithium hydroxide / tetrahydrofuran / 3 h / 20 °C

4.2: pH 2

5.1: N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide; tetrahydrofuran / 20 °C

5.2: 0.25 h / pH 2.8

With pyridine; water; iron; ammonium chloride; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; N-ethyl-N,N-diisopropylamine; lithium hydroxide; copper diacetate; In tetrahydrofuran; ethanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

3-(4-(4-(((4-cyanobenzyl)(2-methyl-3-(N-(methylsulfonyl)methylsulfonamido)phenyl)amino)methyl)phenoxy)-2-(2-(pyridin-3-yl)ethoxy)phenylamino)-3-oxopropanoic acid

methylamine

N-(3-((4-(allyloxy)benzyl)(4-cyanobenzyl)amino)-2-methylphenyl)methanesulfonamide

N-(3-((4-(allyloxy)benzyl)(4-cyanobenzyl)amino)-2-methylphenyl)-N-(methylsulfonyl)methanesulfonamide

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