N-(7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-(((R)-3-dimethylamino-1-(phenylsulfanylmethyl)prop-1-yl)amino)-3-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-(7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-(((R)-3-dimethylamino-1-(phenylsulfanylmethyl)prop-1-yl)amino)-3-nitrobenzenesulfonamide
• CAS No.: 1027344-97-3
• Molecular Formula: C₄₅H₅₃ClN₈O₄S₂
• Molecular Weight: 869.552

Synonyms:

Chemical Property of N-(7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-(((R)-3-dimethylamino-1-(phenylsulfanylmethyl)prop-1-yl)amino)-3-nitrobenzenesulfonamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-(((R)-3-dimethylamino-1-(phenylsulfanylmethyl)prop-1-yl)amino)-3-nitrobenzenesulfonamide

There total 8 articles about N-(7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-(((R)-3-dimethylamino-1-(phenylsulfanylmethyl)prop-1-yl)amino)-3-nitrobenzenesulfonamide 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:

4-(((1R)-3-(dimethylamino)-1-((phenylthio)methyl)propyl)amino)-3-nitrobenzenesulfonamide (406233-35-0) + 4-chloro-7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazoline (1027345-26-1) → N-(7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-(((R)-3-dimethylamino-1-(phenylsulfanylmethyl)prop-1-yl)amino)-3-nitrobenzenesulfonamide (1027344-97-3)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In 1,4-dioxane; at 150 ℃; for 0.75h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/jm101596e

Reference yield:

tert-butyl 4-(4-cyano-3-nitrophenyl)piperazine-1-carboxylate (1027345-15-8) → N-(7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-(((R)-3-dimethylamino-1-(phenylsulfanylmethyl)prop-1-yl)amino)-3-nitrobenzenesulfonamide (1027344-97-3)

Guidance literature:

Multi-step reaction with 6 steps

1: iron; acetic acid / 0.75 h / 60 °C / Inert atmosphere

2: ethyl methyl ether / 9 h / 120 °C / Inert atmosphere

3: hydrogen bromide / 3 h / 130 °C

4: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20.5 h / 25 °C / Inert atmosphere

5: N,N-dimethyl-formamide; trichlorophosphate / 1,2-dichloro-ethane / 21.25 h / 70 °C / Inert atmosphere

6: copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate / 1,4-dioxane / 0.75 h / 150 °C / Inert atmosphere; Microwave irradiation

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen bromide; iron; caesium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; trichlorophosphate; In 1,4-dioxane; ethyl methyl ether; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

DOI:10.1021/jm101596e

Reference yield:

tert-butyl 4-(3-amino-4-cyanophenyl)piperazine-1-carboxylate (1027345-16-9) → N-(7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-(((R)-3-dimethylamino-1-(phenylsulfanylmethyl)prop-1-yl)amino)-3-nitrobenzenesulfonamide (1027344-97-3)

Guidance literature:

Multi-step reaction with 5 steps

1: ethyl methyl ether / 9 h / 120 °C / Inert atmosphere

2: hydrogen bromide / 3 h / 130 °C

3: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20.5 h / 25 °C / Inert atmosphere

4: N,N-dimethyl-formamide; trichlorophosphate / 1,2-dichloro-ethane / 21.25 h / 70 °C / Inert atmosphere

5: copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate / 1,4-dioxane / 0.75 h / 150 °C / Inert atmosphere; Microwave irradiation

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen bromide; caesium carbonate; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; trichlorophosphate; In 1,4-dioxane; ethyl methyl ether; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

DOI:10.1021/jm101596e

upstream raw materials:

4-(((1R)-3-(dimethylamino)-1-((phenylthio)methyl)propyl)amino)-3-nitrobenzenesulfonamide

4-chloro-7-{4-[(2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl]piperazin-1-yl}quinazoline

tert-butyl 4-(4-cyano-3-nitrophenyl)piperazine-1-carboxylate

tert-butyl 4-(3-amino-4-cyanophenyl)piperazine-1-carboxylate

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