N-(5-{[(2-{[(E)-(cyanoimino)(methylamino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide trifluoroacetate

Base Information

• Chemical Name: N-(5-{[(2-{[(E)-(cyanoimino)(methylamino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide trifluoroacetate
• CAS No.: 1408349-59-6
• Molecular Formula: C₂HF₃O₂*C₃₅H₃₄N₁₀O₃
• Molecular Weight: 756.744

Synonyms:

Chemical Property of N-(5-{[(2-{[(E)-(cyanoimino)(methylamino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide trifluoroacetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(5-{[(2-{[(E)-(cyanoimino)(methylamino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide trifluoroacetate

There total 6 articles about N-(5-{[(2-{[(E)-(cyanoimino)(methylamino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide trifluoroacetate 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:

2-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}ethyl acetate (1108614-51-2) → N-(5-{[(2-{[(E)-(cyanoimino)(methylamino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide trifluoroacetate (1408349-59-6)

Guidance literature:

Multi-step reaction with 6 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 3 h

2: 4-methyl-morpholine / dichloromethane; N,N-dimethyl-formamide

3: palladium 10% on activated carbon; hydrogen / methanol / 3 h / 0 °C

4: 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 16 h

5: dichloromethane / 0.5 h / Reflux

6: potassium carbonate / water; ethanol / Reflux

With 4-methyl-morpholine; palladium 10% on activated carbon; hydrogen; potassium carbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2012.08.013

Reference yield:

tert-butyl 2-{[(1-methyl-4-{[(1-methyl-4-amino-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}ethylcarbamate (697302-36-6) → N-(5-{[(2-{[(E)-(cyanoimino)(methylamino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide trifluoroacetate (1408349-59-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 16 h

2: dichloromethane / 0.5 h / Reflux

3: potassium carbonate / water; ethanol / Reflux

With 4-methyl-morpholine; potassium carbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In ethanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2012.08.013

Reference yield:

tert-butyl 2-{[(1-methyl-4-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}ethylcarbamate (197705-42-3) → N-(5-{[(2-{[(E)-(cyanoimino)(methylamino)methyl]amino}ethyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide trifluoroacetate (1408349-59-6)

Guidance literature:

Multi-step reaction with 4 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 3 h / 0 °C

2: 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 16 h

3: dichloromethane / 0.5 h / Reflux

4: potassium carbonate / water; ethanol / Reflux

With 4-methyl-morpholine; palladium 10% on activated carbon; hydrogen; potassium carbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2012.08.013

upstream raw materials:

2-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}ethyl acetate

N-(2-hydroxyethyl)-1-methyl-4-nitro-1H-pyrrole-2-carboxamide

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

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

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