1-N-(Methylsulfonyl)-4-piperidinone

Base Information

• Chemical Name: 1-N-(Methylsulfonyl)-4-piperidinone
• CAS No.: 218780-53-1
• Molecular Formula: C6H11NO3S
• Molecular Weight: 177.224
• Hs Code.: 2935009090
• European Community (EC) Number: 640-927-3
• DSSTox Substance ID: DTXSID70476995
• Nikkaji Number: J2.840.084E
• Wikidata: Q72490843
• Mol file: 218780-53-1.mol

Synonyms:218780-53-1;1-N-(Methylsulfonyl)-4-piperidinone;1-(methylsulfonyl)piperidin-4-one;1-methylsulfonylpiperidin-4-one;1-(methylsulfonyl)-4-Piperidinone;1-Methylsulfonyl-4-piperidone;MFCD08061935;1-methanesulfonylpiperidin-4-one;1-Methanesulfonyl-piperidin-4-one;1-(Methylsulphonyl)piperidin-4-one;4-Piperidinone, 1-(methylsulfonyl)-;glutaricacid;1-methanesulfonyl-4-piperidone;SCHEMBL171589;N-Methanesulfonylpiperidin-4-one;1-methanesulfonyl-4-piperidinone;DTXSID70476995;RTBFRGCFXZNCOE-UHFFFAOYSA-N;N-(methylsulfonyl)piperidin-4-one;1-methanesulfonyl-piperidine-4-one;1-methanesulphonyl-piperidin-4-one;1-methanesulphonyl-piperidine-4-one;AKOS000180810;AM85331;DS-2406;PS-3895;SB41112;SY024898;CS-0112223;FT-0743390;EN300-97622;1-(Methylsulfonyl)-4-piperidinone, AldrichCPR;A815723;Z133648288

Chemical Property of 1-N-(Methylsulfonyl)-4-piperidinone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 102-103 °C
• Refractive Index: 1.522
• Boiling Point: 320.414 °C at 760 mmHg
• PKA: -6.09±0.20(Predicted)
• Flash Point: 147.581 °C
• PSA: 62.83000
• Density: 1.332 g/cm³
• LogP: 0.62960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 177.04596439
• Heavy Atom Count: 11
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

1-N-(Methylsulfonyl)-4-piperidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)N1CCC(=O)CC1

Technology Process of 1-N-(Methylsulfonyl)-4-piperidinone

There total 7 articles about 1-N-(Methylsulfonyl)-4-piperidinone 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: 99.7%

4-piperidone hydrochloride (41979-39-9) + methanesulfonyl chloride (124-63-0) → 1-(methylsulfonyl)piperidin-4-one (218780-53-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 - 32 ℃; for 2h;

Reference yield: 77.0%

8-methanesulfonyl-1,4-dioxa-8-aza-spiro[4.5]decane (59039-18-8) → 1-(methylsulfonyl)piperidin-4-one (218780-53-1)

Guidance literature:

8-methanesulfonyl-1,4-dioxa-8-aza-spiro[4.5]decane; With oxalic acid; In tetrahydrofuran; water; for 1h; Heating / reflux;

With acetic acid; In tetrahydrofuran; water; for 3h; Heating / reflux;

Reference yield: 52.0%

4-piperidone monohydrochloride monohydrate (40064-34-4,320589-77-3) + methanesulfonyl chloride (124-63-0) → 1-(methylsulfonyl)piperidin-4-one (218780-53-1)

Guidance literature:

With potassium carbonate; In acetone;

upstream raw materials:

methanesulfonyl chloride

8-methanesulfonyl-1,4-dioxa-8-aza-spiro[4.5]decane

4-piperidone hydrochloride

4-piperidone monohydrochloride monohydrate

Downstream raw materials:

C₁₃H₂₀N₂O₂S

N-methyl‐1‐(methylsulphonyl)piperidin‐4‐amine

2-chloro-4-(1-(methylsulfonyl)piperidin-4-ylamino)phenol

N,1-dimethyl-8-([1-(methylsulfonyl)piperidin-4-yl]amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide