1-[(4-Nitrophenyl)sulfonyl]tetrahydro-4(1H)-pyridinone

Base Information

• Chemical Name: 1-[(4-Nitrophenyl)sulfonyl]tetrahydro-4(1H)-pyridinone
• CAS No.: 924869-20-5
• Molecular Formula: C₁₁H₁₂N₂O₅S
• Molecular Weight: 284.293
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00594757
• Wikidata: Q82489662
• Mol file: 924869-20-5.mol

Synonyms:924869-20-5;1-[(4-NITROPHENYL)SULFONYL]TETRAHYDRO-4(1H)-PYRIDINONE;1-((4-Nitrophenyl)sulfonyl)piperidin-4-one;1-(4-nitrophenyl)sulfonylpiperidin-4-one;1-(4-nitrobenzenesulfonyl)piperidin-4-one;FA-0704;SCHEMBL12626953;DTXSID00594757;ZLB86920;MFCD08689704;AKOS000178829;CS-0321805;1-[(4-Nitrophenyl)sulphonyl]piperidin-4-one;1-(4-Nitrobenzene-1-sulfonyl)piperidin-4-one;C93520;J-502821

Chemical Property of 1-[(4-Nitrophenyl)sulfonyl]tetrahydro-4(1H)-pyridinone

Chemical Property:

• Melting Point: 199-201°C
• PSA: 108.65000
• LogP: 2.49030
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 284.04669266
• Heavy Atom Count: 19
• Complexity: 447

Purity/Quality:

98% ^*data from raw suppliers

1-[(4-Nitrophenyl)sulfonyl]piperidin-4-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-[(4-Nitrophenyl)sulfonyl]tetrahydro-4(1H)-pyridinone

There total 7 articles about 1-[(4-Nitrophenyl)sulfonyl]tetrahydro-4(1H)-pyridinone 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: 82.0%

→ 1-((4-nitrophenyl)sulfonyl)piperidin-4-one (924869-20-5)

Guidance literature:

With potassium carbonate; In chloroform; water; at 20 ℃; for 20h;

Reference yield: 20.0%

4-methoxy-1-(4-nitrobenzenesulfonyl)piperdine → 1-((4-nitrophenyl)sulfonyl)piperidin-4-one (924869-20-5)

Guidance literature:

With calcium hypochlorite; acetic acid; In water; acetonitrile; at 0 ℃; regioselective reaction;

DOI:10.1021/acs.joc.7b00632

Reference yield:

4-piperidone hydrochloride (41979-39-9) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → 1-((4-nitrophenyl)sulfonyl)piperidin-4-one (924869-20-5)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 24h;

DOI:10.1002/jhet.3800

upstream raw materials:

tert-butyl 4-methoxypiperidine-1-carboxylate

4-Nitrobenzenesulfonyl chloride

benzyl 4-methoxypiperidine-1-carboxylate

benzyl 4-oxo-1-piperidinecarboxylate

Refernces

• 1、 Gilissen, Pieter J.,Blanco-Ania, Daniel,Rutjes, Floris P. J. T.. "Oxidation of Secondary Methyl Ethers to Ketones". . p. 6671 - 6679. Retrieved 2017/07/15.