(2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester

Base Information

• Chemical Name: (2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester
• CAS No.: 197705-46-7
• Molecular Formula: C₃₆H₄₅Cl₂N₉O₆
• Molecular Weight: 770.716

Synonyms:(2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester

Chemical Property of (2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester

Chemical Property:

Purity/Quality:

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Technology Process of (2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester

There total 9 articles about (2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl 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:

1-methyl-4-nitro-pyrrol-2-carboxylic acid (13138-78-8) → (2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester (197705-46-7)

Guidance literature:

Multi-step reaction with 8 steps

1: thionyl chloride / 0.67 h / Heating

2: 74 percent / pyridine / CH₂Cl₂ / 3 h / Ambient temperature

3: H₂ / 5percent Pd/C / methanol / 6 h / 760 Torr / Ambient temperature

4: pyridine / CH₂Cl₂ / 3 h / Ambient temperature

5: H₂ / 5percent Pd/C / methanol / 760 Torr / Ambient temperature

6: pyridine / CH₂Cl₂ / 3 h / Ambient temperature

7: H₂ / 5percent Pd/C / methanol / 14 h / 760 Torr / Ambient temperature

8: triethylamine / CH₂Cl₂ / 5 h / Ambient temperature

With pyridine; thionyl chloride; hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1016/S0968-0896(97)00096-5

Reference yield:

1-methyl-4-nitro-1H-pyrrole-2-carbonyl chloride (28494-51-1) → (2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester (197705-46-7)

Guidance literature:

Multi-step reaction with 7 steps

1: 74 percent / pyridine / CH₂Cl₂ / 3 h / Ambient temperature

2: H₂ / 5percent Pd/C / methanol / 6 h / 760 Torr / Ambient temperature

3: pyridine / CH₂Cl₂ / 3 h / Ambient temperature

4: H₂ / 5percent Pd/C / methanol / 760 Torr / Ambient temperature

5: pyridine / CH₂Cl₂ / 3 h / Ambient temperature

6: H₂ / 5percent Pd/C / methanol / 14 h / 760 Torr / Ambient temperature

7: triethylamine / CH₂Cl₂ / 5 h / Ambient temperature

With pyridine; hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1016/S0968-0896(97)00096-5

Reference yield:

tert-butyl 2-{[(1-methyl-4-amino-1H-pyrrol-2-yl)carbonyl]amino}ethylcarbamate (169770-35-8) → (2-{[4-({4-[(4-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carbonyl}-amino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester (197705-46-7)

Guidance literature:

Multi-step reaction with 5 steps

1: pyridine / CH₂Cl₂ / 3 h / Ambient temperature

2: H₂ / 5percent Pd/C / methanol / 760 Torr / Ambient temperature

3: pyridine / CH₂Cl₂ / 3 h / Ambient temperature

4: H₂ / 5percent Pd/C / methanol / 14 h / 760 Torr / Ambient temperature

5: triethylamine / CH₂Cl₂ / 5 h / Ambient temperature

With pyridine; hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1016/S0968-0896(97)00096-5

upstream raw materials:

4-[N,N-bis(2-chloroethyl)amino]benzoyl chloride

1-methyl-4-nitro-pyrrol-2-carboxylic acid

1-methyl-4-nitro-1H-pyrrole-2-carbonyl chloride

tert-butyl 2-{[(1-methyl-4-amino-1H-pyrrol-2-yl)carbonyl]amino}ethylcarbamate

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