3H-Benz[e]indole-3-carboxylic acid, 7-[[4-[(5-carboxy-1-methyl-1H-pyrrol-3-yl)amino]-1,4-dioxobutyl]amino]- 1-(chloromethyl)-1,2-dihydro-5-(phenylmethoxy)-, 3-(1,1-dimethylethyl) ester

Base Information

Chemical Name:3H-Benz[e]indole-3-carboxylic acid, 7-[[4-[(5-carboxy-1-methyl-1H-pyrrol-3-yl)amino]-1,4-dioxobutyl]amino]- 1-(chloromethyl)-1,2-dihydro-5-(phenylmethoxy)-, 3-(1,1-dimethylethyl) ester
CAS No.:633302-62-2
Molecular Formula:C35H37ClN4O7
Molecular Weight:661.154
Hs Code.:

3H-Benz[e]indole-3-carboxylic acid,
7-[[4-[(5-carboxy-1-methyl-1H-pyrrol-3-yl)amino]-1,4-dioxobutyl]amino]-
1-(chloromethyl)-1,2-dihydro-5-(phenylmethoxy)-, 3-(1,1-dimethylethyl)
ester

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Chemical Property of 3H-Benz[e]indole-3-carboxylic acid, 7-[[4-[(5-carboxy-1-methyl-1H-pyrrol-3-yl)amino]-1,4-dioxobutyl]amino]- 1-(chloromethyl)-1,2-dihydro-5-(phenylmethoxy)-, 3-(1,1-dimethylethyl) ester

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Technology Process of 3H-Benz[e]indole-3-carboxylic acid, 7-[[4-[(5-carboxy-1-methyl-1H-pyrrol-3-yl)amino]-1,4-dioxobutyl]amino]- 1-(chloromethyl)-1,2-dihydro-5-(phenylmethoxy)-, 3-(1,1-dimethylethyl) ester

There total 4 articles about 3H-Benz[e]indole-3-carboxylic acid, 7-[[4-[(5-carboxy-1-methyl-1H-pyrrol-3-yl)amino]-1,4-dioxobutyl]amino]- 1-(chloromethyl)-1,2-dihydro-5-(phenylmethoxy)-, 3-(1,1-dimethylethyl) 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: 76.0%

: 633302-60-0
5-benzyloxy-1-chloromethyl-7-[3-(5-methoxycarbonyl-1-methyl-1H-pyrrol-3-ylcarbamoyl)propionylamino]-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

: 633302-62-2
5-benzyloxy-7-[3-(5-carboxy-1-methyl-1H-pyrrol-3-ylcarbamoyl)propionylamino]-1-chloromethyl-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

Guidance literature:: With sodium hydroxide; In methanol; at 20 ℃;
DOI:10.1039/b303650m

Reference yield:

: 120122-47-6
1-methyl-4-nitro-2-trichloroacetylpyrrole

: 633302-62-2
5-benzyloxy-7-[3-(5-carboxy-1-methyl-1H-pyrrol-3-ylcarbamoyl)propionylamino]-1-chloromethyl-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / 80 °C

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

3: 1.0 g / HOBt; EDCI / dimethylformamide / 12 h / 20 °C

4: 76 percent / NaOH / methanol / 20 °C

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

Reference yield:

: 286374-31-0
7-amino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

: 633302-62-2
5-benzyloxy-7-[3-(5-carboxy-1-methyl-1H-pyrrol-3-ylcarbamoyl)propionylamino]-1-chloromethyl-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 91 percent / triethylamine / tetrahydrofuran / 12 h / 20 °C

2: 1.0 g / HOBt; EDCI / dimethylformamide / 12 h / 20 °C

3: 76 percent / NaOH / methanol / 20 °C

With sodium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1039/b303650m