1-[2-(Methanesulfonyl)ethyl]-4-(5-methoxy-2-methyl-4-nitrophenyl)piperazine

Base Information

• Chemical Name: 1-[2-(Methanesulfonyl)ethyl]-4-(5-methoxy-2-methyl-4-nitrophenyl)piperazine
• CAS No.: 1089281-65-1
• Molecular Formula: C15H23N3O5S
• Molecular Weight: 357.431
• DSSTox Substance ID: DTXSID80705384

Synonyms:1-[2-methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl)piperazine;1-[2-methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl]piperazine;1089281-65-1;SCHEMBL311018;DTXSID80705384;PUPKYVMQSTYXFJ-UHFFFAOYSA-N;1-[2-(Methanesulfonyl)ethyl]-4-(5-methoxy-2-methyl-4-nitrophenyl)piperazine

Chemical Property of 1-[2-(Methanesulfonyl)ethyl]-4-(5-methoxy-2-methyl-4-nitrophenyl)piperazine

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 357.13584202
• Heavy Atom Count: 24
• Complexity: 522

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N2CCN(CC2)CCS(=O)(=O)C)OC)[N+](=O)[O-]

Technology Process of 1-[2-(Methanesulfonyl)ethyl]-4-(5-methoxy-2-methyl-4-nitrophenyl)piperazine

There total 2 articles about 1-[2-(Methanesulfonyl)ethyl]-4-(5-methoxy-2-methyl-4-nitrophenyl)piperazine 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: 73.5%

1-(2-(methylsulfonyl)ethyl)piperazine hydrochloride (910568-71-7,870007-73-1) + 1-fluoro-5-methoxy-2-methyl-4-nitro-benzene (314298-13-0) → 1-[2-methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl]piperazine (1089281-65-1)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 100 ℃; for 24h; sealed tube; Inert atmosphere;

Reference yield: 60.0%

1-(5-methoxy-2-methyl-4-nitrophenyl)piperazine (1116230-01-3) + methyl ethenyl sulphone (3680-02-2) → 1-[2-methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl]piperazine (1089281-65-1)

Guidance literature:

In 1,4-dioxane; at 120 ℃; for 1h;

Reference yield: 82.0%

1-[2-methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl]piperazine (1089281-65-1) → 5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenylamine (1089281-66-2)

Guidance literature:

With hydrogen; 5 wtpercent platinum(sulfided)/C; In methanol; ethyl acetate; at 20 ℃;

upstream raw materials:

1-(5-methoxy-2-methyl-4-nitrophenyl)piperazine

methyl ethenyl sulphone

1-(2-(methylsulfonyl)ethyl)piperazine hydrochloride

1-fluoro-5-methoxy-2-methyl-4-nitro-benzene

Downstream raw materials:

5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenylamine

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