1-(tert-Butoxycarbonyl)-1-(4-nitrobenzene-1-sulfonyl)piperazin-1-ium

Base Information

• Chemical Name: 1-(tert-Butoxycarbonyl)-1-(4-nitrobenzene-1-sulfonyl)piperazin-1-ium
• CAS No.: 173951-83-2
• Molecular Formula: C15H21 N3 O6 S
• Molecular Weight: 371.414
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID50700361
• Wikidata: Q82631660
• Mol file: 173951-83-2.mol

Synonyms:DTXSID50700361;1-(tert-Butoxycarbonyl)-1-(4-nitrobenzene-1-sulfonyl)piperazin-1-ium

Chemical Property of 1-(tert-Butoxycarbonyl)-1-(4-nitrobenzene-1-sulfonyl)piperazin-1-ium

Chemical Property:

• PSA: 121.12000
• LogP: 3.31600
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 372.12293160
• Heavy Atom Count: 25
• Complexity: 603

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-((4-nitrophenyl)sulfonyl)piperazine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)[N+]1(CCNCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(tert-Butoxycarbonyl)-1-(4-nitrobenzene-1-sulfonyl)piperazin-1-ium

There total 1 articles about 1-(tert-Butoxycarbonyl)-1-(4-nitrobenzene-1-sulfonyl)piperazin-1-ium 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: 99.0%

4-Nitrobenzenesulfonyl chloride (98-74-8) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → N-((4-nitrophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine (173951-83-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.113096

Reference yield: 100.0%

N-((4-nitrophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine (173951-83-2) → 4-((4-aminophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine (173951-84-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 22h; under 2275.5 Torr;

DOI:10.1021/jm9502652

Reference yield: 99.0%

N-((4-nitrophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine (173951-83-2) → 1‐(4‐nitrophenylsulfonyl)piperazine (403825-44-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2009.10.130

upstream raw materials:

4-Nitrobenzenesulfonyl chloride

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

4-((4-aminophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine

4-((4-(prop-2-ynylamino)phenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine

4-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzenesulfonyl}-piperazine-1-carboxylic acid tert-butyl ester

2-Methyl-6-({[4-(piperazine-1-sulfonyl)-phenyl]-prop-2-ynyl-amino}-methyl)-3H-quinazolin-4-one