Benzenamine, 4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)-

Base Information

• Chemical Name: Benzenamine, 4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)-
• CAS No.: 115041-57-1
• Molecular Formula: C₂₀H₂₇N₃O₂S
• Molecular Weight: 373.519
• DSSTox Substance ID: DTXSID80150936
• Mol file: 115041-57-1.mol

Synonyms:BRN 5127984;Benzenamine, 4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)-;4-((3-(4-(Phenylmethyl)-1-piperazinyl)propyl)sulfonyl)benzenamine;115041-57-1;C20H27N3O2S;DTXSID80150936;C20-H27-N3-O2-S;LS-28412

Chemical Property of Benzenamine, 4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)-

Chemical Property:

• Vapor Pressure: 1.01E-13mmHg at 25°C
• Boiling Point: 586.2°Cat760mmHg
• Flash Point: 308.3°C
• Density: 1.207g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 373.18239829
• Heavy Atom Count: 26
• Complexity: 498

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCS(=O)(=O)C2=CC=C(C=C2)N)CC3=CC=CC=C3

Technology Process of Benzenamine, 4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)-

There total 6 articles about Benzenamine, 4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)- 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: 56.0%

N-{4-[3-(4-Benzyl-piperazin-1-yl)-propane-1-sulfonyl]-phenyl}-acetamide; hydrochloride (115041-69-5) → 4-[3-(4-Benzyl-piperazin-1-yl)-propane-1-sulfonyl]-phenylamine (115041-57-1)

Guidance literature:

With hydrogenchloride; at 130 ℃;

Reference yield:

γ-chloropropyl-4-acetamidophenyl sulphide (78234-11-4) → 4-[3-(4-Benzyl-piperazin-1-yl)-propane-1-sulfonyl]-phenylamine (115041-57-1)

Guidance literature:

Multi-step reaction with 3 steps

1: KMnO₄ / acetic acid

2: sodium carbonate, sodium iodide / dimethylformamide

3: 59 percent / ethanolic HCl

With hydrogenchloride; potassium permanganate; sodium carbonate; sodium iodide; In acetic acid; N,N-dimethyl-formamide;

Reference yield:

γ-chloropropyl 4-acetamidophenyl sulphone (78234-18-1) → 4-[3-(4-Benzyl-piperazin-1-yl)-propane-1-sulfonyl]-phenylamine (115041-57-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate, sodium iodide / dimethylformamide

2: 59 percent / ethanolic HCl

With hydrogenchloride; sodium carbonate; sodium iodide; In N,N-dimethyl-formamide;

upstream raw materials:

N-{4-[3-(4-Benzyl-piperazin-1-yl)-propane-1-sulfonyl]-phenyl}-acetamide; hydrochloride

1-phenylmethylpiperazine

γ-chloropropyl-4-acetamidophenyl sulphide

γ-chloropropyl 4-acetamidophenyl sulphone