N-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1-phenylpiperazin-2-yl]acetamide

Base Information

• Chemical Name: N-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1-phenylpiperazin-2-yl]acetamide
• CAS No.: 167261-47-4
• Molecular Formula: C₃₄H₃₉Cl₂N₃O₅
• Molecular Weight: 640.607
• DSSTox Substance ID: DTXSID40698728
• Mol file: 167261-47-4.mol

Synonyms:167261-47-4;N-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1-phenylpiperazin-2-yl]acetamide;3-(3,4-DICHLOROPHENYL)-1-(3,4,5-TRIMETHOXYBENZOYL)-3-[(3-ACETAMIDO-4-PHENYLPIPERAZIN-1-YL)ETHYL]-PYR;N-(4-{2-[3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl}-1-phenylpiperazin-2-yl)acetamide;DTXSID40698728;VBURXNFHWXGKAV-UHFFFAOYSA-N

Chemical Property of N-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1-phenylpiperazin-2-yl]acetamide

Chemical Property:

• Boiling Point: 804.2±65.0 °C(Predicted)
• PKA: 16.05±0.20(Predicted)
• Density: 1.262±0.06 g/cm3(Predicted)
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 654.2375758
• Heavy Atom Count: 45
• Complexity: 974

Purity/Quality:

3-(3,4-DICHLOROPHENYL)-1-(3,4,5-TRIMETHOXYBENZOYL)-3-[(3-ACETAMIDO-4-PHENYLPIPERAZIN-1-YL)ETHYL]PYRROLIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1CN(CCN1C2=CC=CC=C2)CCC3(CCN(C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC(=C(C=C5)Cl)Cl

Technology Process of N-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1-phenylpiperazin-2-yl]acetamide

There total 3 articles about N-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1-phenylpiperazin-2-yl]acetamide 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:

water (7732-18-5) + 4-phenyl-piperidine-4-carboxylic acid amide hydrochloride + 2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate (167262-42-2) → MDL 103392 (167261-47-4,167261-59-8)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate;

Reference yield:

4-phenyl-piperidine-4-carboxylic acid amide hydrochloride + 2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate (167262-42-2) → MDL 103392 (167261-47-4,167261-59-8)

Guidance literature:

In methanol; dichloromethane;

Reference yield:

→ MDL 103392 (167261-47-4,167261-59-8)

Guidance literature:

upstream raw materials:

2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate

water