{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester

Base Information

• Chemical Name: {[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester
• CAS No.: 861959-99-1
• Molecular Formula: C₃₆H₄₇N₇O₁₀S₂
• Molecular Weight: 801.942

Synonyms:{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester

Chemical Property of {[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester

Chemical Property:

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Technology Process of {[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester

There total 2 articles about {[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester 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:

({1-methyl-4-[(1-methyl-4-nitro-1H-pyrrole-2-carbonyl)-amino]-1H-pyrrole-2-carbonyl}-amino)-acetic acid methyl ester → {[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester (861959-99-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C / methanol / 2 h / 2585.74 Torr

2: N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide*HCl; 1-hydroxybenzotriazole / dimethylformamide / 12 h / 20 °C

With hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2005.02.005

Reference yield:

({4-[(4-amino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-acetic acid methyl ester (794529-78-5) + (2S)-N-{5-methoxy-4-[3-(carboxy)propyloxy]-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl dithioacetal (219931-70-1) → {[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester (861959-99-1)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2005.02.005

Reference yield: 86.0%

{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid methyl ester (861959-99-1) → {[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid (861960-05-6)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃;

DOI:10.1016/j.ejmech.2005.02.005

upstream raw materials:

({4-[(4-amino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-acetic acid methyl ester

(2S)-N-{5-methoxy-4-[3-(carboxy)propyloxy]-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl dithioacetal

Downstream raw materials:

{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}acetic acid

C₅₈H₇₉N₁₁O₁₅S₄

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