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

Base Information

• Chemical Name: [(4-{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-imidazole-2-carbonyl)amino]acetic acid
• CAS No.: 861960-09-0
• Molecular Formula: C₃₈H₄₈N₁₂O₁₁S₂
• Molecular Weight: 913.005

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

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

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

There total 3 articles about [(4-{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-imidazole-2-carbonyl)amino]acetic 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: 87.0%

C39H50N12O11S2 (861960-03-4) → [(4-{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-imidazole-2-carbonyl)amino]acetic acid (861960-09-0)

Guidance literature:

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

DOI:10.1016/j.ejmech.2005.02.005

Reference yield:

{[1-methyl-4-({1-methyl-4-[(1-methyl-4-nitro-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-imidazole-2-carbonyl]amino}acetic acid methyl ester (633302-91-7) → [(4-{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-imidazole-2-carbonyl)amino]acetic acid (861960-09-0)

Guidance literature:

Multi-step reaction with 3 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

3: 87 percent / NaOH / H₂O; methanol / 20 °C

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

DOI:10.1016/j.ejmech.2005.02.005

Reference yield:

{[4-({4-[(4-amino-1-methyl-1H-imidazole-2-carbonyl)-amino]-1-methyl-1H-imidazole-2-carbonyl}-amino)-1-methyl-1H-imidazole-2-carbonyl]-amino}-acetic acid methyl ester (794529-82-1) → [(4-{[4-({4-[4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-imidazole-2-carbonyl)amino]acetic acid (861960-09-0)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 87 percent / NaOH / H₂O; methanol / 20 °C

With sodium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2005.02.005

upstream raw materials:

C₃₉H₅₀N₁₂O₁₁S₂

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

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

Downstream raw materials:

C₆₁H₈₂N₁₆O₁₆S₄

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