4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine

Base Information

• Chemical Name: 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine
• CAS No.: 321970-52-9
• Molecular Formula: C12H16N2O4S
• Molecular Weight: 284.336
• DSSTox Substance ID: DTXSID301322832
• Nikkaji Number: J2.244.427A
• ChEMBL ID: CHEMBL1417380
• Mol file: 321970-52-9.mol

Synonyms:321970-52-9;4-methyl-1-(4-nitrophenyl)sulfonylpiperidine;4-Methyl-1-(4-nitro-benzenesulfonyl)-piperidine;4-methyl-1-(4-nitrobenzenesulfonyl)piperidine;4-methyl-1-[(4-nitrophenyl)sulfonyl]piperidine;4-methyl-1-((4-nitrophenyl)sulfonyl)piperidine;Cambridge id 5349800;Oprea1_130787;Oprea1_685227;MLS001207799;CHEMBL1417380;DTXSID301322832;HMS2818H14;STK052828;AKOS000523656;SMR000514067;EU-0036815;FT-0723706;VU0088712-2;SR-01000420266;SR-01000420266-1;Z45542112;F0306-0064

Chemical Property of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine

Chemical Property:

• PSA: 91.58000
• LogP: 3.55730
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 284.08307817
• Heavy Atom Count: 19
• Complexity: 410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine

There total 3 articles about 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine 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: 84.4%

4-methylpiperidin (626-58-4) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → 4-((4-methylpiperidin-1-yl)sulfonyl)aniline (321970-52-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1007/s11426-013-4903-z

Reference yield: 82.0%

C30H32O2P2 + p-nitrobenzenesulfonamide (6325-93-5) → 4-((4-methylpiperidin-1-yl)sulfonyl)aniline (321970-52-9)

Guidance literature:

With 1-Azidoadamantane; In various solvent(s); at 80 ℃; for 6h;

DOI:10.1246/cl.2005.1644

Reference yield:

3-methylpentane-1,5-diol (4457-71-0) → 4-((4-methylpiperidin-1-yl)sulfonyl)aniline (321970-52-9)

Guidance literature:

Multi-step reaction with 2 steps

1: DMAP; Et₃N / tetrahydrofuran / 20 °C

2: 82 percent / 1-azidoadamantane / various solvent(s) / 6 h / 80 °C

With dmap; 1-Azidoadamantane; triethylamine; In tetrahydrofuran;

DOI:10.1246/cl.2005.1644

upstream raw materials:

p-nitrobenzenesulfonamide

3-methylpentane-1,5-diol

4-methylpiperidin

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

4-(4-methylpiperidin-1-sulfonyl)phenylamine