(2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal

Base Information

• Chemical Name: (2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal
• CAS No.: 774221-45-3
• Molecular Formula: C₃₉H₅₀N₆O₆S₂
• Molecular Weight: 762.995
• Mol file: 774221-45-3.mol

Synonyms:(2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal

Chemical Property of (2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal

There total 5 articles about (2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal 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:

4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenol (154713-23-2) + (2S)-N-[4-(4-bromobutyl)oxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethylthioacetal (343308-56-5) → (2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal (774221-45-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1016/j.bmcl.2004.06.069

Reference yield:

1-methyl-piperazine (109-01-3) → (2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal (774221-45-3)

Guidance literature:

Multi-step reaction with 4 steps

1: K₂CO₃ / dimethylformamide / 90 °C

2: H₂ / Pd/C / ethanol / 20 °C

3: aq. Na₂S₂O₅ / ethanol / Heating

4: K₂CO₃ / dimethylformamide / 48 h / 20 °C

With sodium metabisulfite; hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.06.069

Reference yield:

5-chloro-2-nitroaniline (1635-61-6) → (2S)-N-{4-(4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal (774221-45-3)

Guidance literature:

Multi-step reaction with 4 steps

1: K₂CO₃ / dimethylformamide / 90 °C

2: H₂ / Pd/C / ethanol / 20 °C

3: aq. Na₂S₂O₅ / ethanol / Heating

4: K₂CO₃ / dimethylformamide / 48 h / 20 °C

With sodium metabisulfite; hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.06.069

upstream raw materials:

4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo[d]imidazol-2-yl]phenol

(2S)-N-[4-(4-bromobutyl)oxy-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethylthioacetal

1-methyl-piperazine

5-chloro-2-nitroaniline

Downstream raw materials:

[2-amino-5-methoxy-4-(4-{4-[5-(4-methyl-piperazin-1-yl)-1H-benzoimidazol-2-yl]-phenoxy}-butoxy)-phenyl]-[2-(bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-methanone