{[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid

Base Information

Chemical Name:{[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid
CAS No.:633303-18-1
Molecular Formula:C₃₈H₃₈ClN₉O₈
Molecular Weight:784.228
Hs Code.:

{[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid

Synonyms:{[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid

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Chemical Property of {[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-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-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid

There total 12 articles about {[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-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: 76.0%

: 633303-15-8
{[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid tert-butyl ester

: 633303-18-1
{[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid

Guidance literature:: With titanium tetrachloride; In dichloromethane; at 20 ℃; for 24h;
DOI:10.1039/b303650m

Reference yield:

: 120095-64-9
2,2,2-trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one

: 633303-18-1
{[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 87 percent / Et₃N / tetrahydrofuran / 4 h / 20 °C

2: NaOH / tetrahydrofuran; methanol

3: 72 percent / H₂SO₄ / tetrahydrofuran / 36 h / 20 °C

4: H₂ / Pd/C / methanol / 2 h / 2585.81 Torr

5: 1.25 g / Et₃N / tetrahydrofuran / 2 h / 20 °C

6: H₂ / Pd/C / methanol / 2 h / 2585.81 Torr

7: 1.30 g / HOBt; EDCI / dimethylformamide / 12 h / 20 °C

8: 76 percent / TiCl₄ / CH₂Cl₂ / 24 h / 20 °C

With sodium hydroxide; sulfuric acid; hydrogen; titanium tetrachloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1039/b303650m

Reference yield:

: 633303-11-4
[(1-methyl-4-nitro-1H-imidazole-2-carbonyl)amino]acetic acid tert-butyl ester

: 633303-18-1
{[4-({4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-imidazole-2-carbonyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: H₂ / Pd/C / methanol / 2 h / 2585.81 Torr

2: 1.25 g / Et₃N / tetrahydrofuran / 2 h / 20 °C

3: H₂ / Pd/C / methanol / 2 h / 2585.81 Torr

4: 1.30 g / HOBt; EDCI / dimethylformamide / 12 h / 20 °C

5: 76 percent / TiCl₄ / CH₂Cl₂ / 24 h / 20 °C

With hydrogen; titanium tetrachloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1039/b303650m