{4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl ester

Base Information

Chemical Name:{4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl ester
CAS No.:913960-98-2
Molecular Formula:C₃₂H₃₈N₈O₅S
Molecular Weight:646.77
Hs Code.:

{4-[(4-acetylamino-1-methyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1<i>H</i>-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid <i>S</i>-phenyl ester

Synonyms:{4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl ester

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Chemical Property of {4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl ester

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Technology Process of {4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl ester

There total 7 articles about {4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl 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: 45.0%

: 56377-57-2
α-bromo-S-phenyl thioacetate

: 913960-97-1
N-[3-(dimethylamino)propyl]-1-methyl-4-[(4-{[1-methyl-4-(methylcarboxamido)-1H-2-pyrrolyl]carboxamido}-1H-2-pyrrolyl)carboxamido]-1H-2-pyrrolecarboxamide

: 913960-98-2
{4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl ester

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; acetone; for 8h; Heating;
DOI:10.1021/ol061551i

Reference yield:

: 4-[(4-Amino-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carboxylic acid (3-dimethylamino-propyl)-amide

: 913960-98-2
{4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 489 mg / DECP; Et₃N; DMAP / tetrahydrofuran; dimethylformamide / 8.33 h / 0 - 20 °C

2: H₂ / Pd/C / methanol / 1.5 h / 20 °C

3: 310 mg / Et₃N / dimethylformamide / 5.5 h / 0 - 20 °C

4: 45 percent / K₂CO₃ / acetone; dimethylformamide / 8 h / Heating

With dmap; hydrogen; potassium carbonate; diethyl chlorophosphate; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; acetone;
DOI:10.1021/ol061551i

Reference yield:

: 913960-95-9
1-Methyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)-amino]-1H-pyrrole-2-carboxylic acid (3-dimethylamino-propyl)-amide

: 913960-98-2
{4-[(4-acetylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-[5-(3-dimethylamino-propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-pyrrol-1-yl}-thioacetic acid S-phenyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: H₂ / Pd/C / methanol; dimethylformamide / 1 h / 20 °C

2: 489 mg / DECP; Et₃N; DMAP / tetrahydrofuran; dimethylformamide / 8.33 h / 0 - 20 °C

3: H₂ / Pd/C / methanol / 1.5 h / 20 °C

4: 310 mg / Et₃N / dimethylformamide / 5.5 h / 0 - 20 °C

5: 45 percent / K₂CO₃ / acetone; dimethylformamide / 8 h / Heating

With dmap; hydrogen; potassium carbonate; diethyl chlorophosphate; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; acetone;
DOI:10.1021/ol061551i