(E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide

Base Information

Chemical Name:(E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide
CAS No.:1017278-85-1
Molecular Formula:BrH*Br*C₃₁H₃₃ClN₅O₃
Molecular Weight:719.904
Hs Code.:

(E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide

Synonyms:(E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide

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Chemical Property of (E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide

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Technology Process of (E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide

There total 9 articles about (E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide 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: 97.0%

: 1017278-84-0
N-4-((E)-3-{5-[bis(tert-butoxycarbonyl)]amino-1-(chloromethyl)-1,2-dihydro-3H-benzo[e]indol-3-yl}-3-oxo-1-propenyl)benzyl-N,N-dimethyl-N-[(1-methyl-5-nitro-2-pyrrolyl)methyl]ammonium bromide

: 1017278-85-1
(E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide

Guidance literature:: With hydrogen bromide; In 1,4-dioxane; at 20 ℃; for 12h; Darkness;
DOI:10.1016/j.bmc.2011.12.007

Reference yield:

: 1017278-95-3
(E)-4-(dimethylaminomethyl)cinnamic acid hydrochloride

: 1017278-85-1
(E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide

Guidance literature:: Multi-step reaction with 4 steps

1.1: oxalyl dichloride / N,N-dimethyl-formamide; acetonitrile / 5.5 h / 20 °C

2.1: triethylamine / tetrahydrofuran / 0.75 h / 20 °C

2.2: 12 h / 20 °C

3.1: tetrahydrofuran / 72 h / 20 °C / Darkness

4.1: hydrogen bromide / 1,4-dioxane / 12 h / 20 °C / Darkness

With oxalyl dichloride; hydrogen bromide; triethylamine; In tetrahydrofuran; 1,4-dioxane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmc.2011.12.007

Reference yield:

: 1017279-66-1
methyl (E)-4-(dimethylaminomethyl)cinnamate

: 1017278-85-1
(E)-N-(4-(3-(5-amino-1-(chloromethyl)-1H-benzo[e]indol-3(2H)-yl)-3-oxoprop-1-enyl)benzyl)-N,N-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)methanaminium bromide hydrobromide

Guidance literature:: Multi-step reaction with 5 steps

1.1: sodium hydroxide / methanol; water / 2 h / Reflux

1.2: 20 °C

2.1: oxalyl dichloride / N,N-dimethyl-formamide; acetonitrile / 5.5 h / 20 °C

3.1: triethylamine / tetrahydrofuran / 0.75 h / 20 °C

3.2: 12 h / 20 °C

4.1: tetrahydrofuran / 72 h / 20 °C / Darkness

5.1: hydrogen bromide / 1,4-dioxane / 12 h / 20 °C / Darkness

With oxalyl dichloride; hydrogen bromide; triethylamine; sodium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmc.2011.12.007