[3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic acid

Base Information

• Chemical Name: [3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic acid
• CAS No.: 1613588-49-0
• Molecular Formula: C₄₄H₅₄F₆N₈O₁₁S
• Molecular Weight: 1017.02

Synonyms:[3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic acid

Chemical Property of [3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic acid

Chemical Property:

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Technology Process of [3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic acid

There total 3 articles about [3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic 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: 69.0%

bis(trichloromethyl) carbonate (32315-10-9) + 4-(3-(trifluoromethyl)-5-nitrophenoxy)benzenamine (1613588-48-9) + tert-butyl N-[N-[5-[[3-amino-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]amino]-5-oxopentyl]-N'-tert-butoxycarbonylcarbamimidoyl]carbamate (1613588-50-3) → [3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic acid (1613588-49-0)

Guidance literature:

bis(trichloromethyl) carbonate; tert-butyl N-[N-[5-[[3-amino-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]amino]-5-oxopentyl]-N'-tert-butoxycarbonylcarbamimidoyl]carbamate; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃;

4-(3-(trifluoromethyl)-5-nitrophenoxy)benzenamine; In dichloromethane; for 4h;

Reference yield:

4-amino-phenol (123-30-8) → [3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic acid (1613588-49-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 48 h / 110 - 120 °C

2.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

2.2: 4 h

With potassium carbonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

1-fluoro-3-(trifluoromethyl)-5-nitrobenzene (454-73-9) → [3-[4-[[3-[5-[(N,N'-bis(tert-butoxycarbonyl)carbamimidoyl)amino]pentanoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]azinic acid (1613588-49-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 48 h / 110 - 120 °C

2.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

2.2: 4 h

With potassium carbonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

bis(trichloromethyl) carbonate

4-(3-(trifluoromethyl)-5-nitrophenoxy)benzenamine

tert-butyl N-[N-[5-[[3-amino-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]amino]-5-oxopentyl]-N'-tert-butoxycarbonylcarbamimidoyl]carbamate

4-amino-phenol

Downstream raw materials:

tert-butyl N-[N-[5-[[3-[[4-[3-amino-5-(trifluoromethyl)phenoxy]phenyl]carbamoylamino]-2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-(trifluoromethyl)phenyl]amino]-5-oxopentyl]-N'-tert-butoxycarbonylcarbamimidoyl]carbamate

C₃₉H₄₈F₆N₈O₇S

C₅₁H₆₉F₆N₉O₁₁S

(4-(2-(2-aminoethylthio)-3-(3-(4-(3-(trifluoromethyl)-5-nitrophenoxy)phenyl)ureido)-5-(trifluoromethyl)phenylcarbamoyl)butyl)guanidine

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