2-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-4-PIPERIDINONE

Base Information

• Chemical Name: 2-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-4-PIPERIDINONE
• CAS No.: 13729-78-7
• Molecular Formula: C₁₃H₁₇NO₃S
• Molecular Weight: 267.349
• Mol file: 13729-78-7.mol

Synonyms:2-methyl-1-tosylpiperidin-4-one

Chemical Property of 2-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-4-PIPERIDINONE

Chemical Property:

• Melting Point: 80-81 °C
• Boiling Point: 421.2±55.0 °C(Predicted)
• PKA: -7.19±0.40(Predicted)
• Density: 1.228±0.06 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-4-PIPERIDINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-4-PIPERIDINONE

There total 2 articles about 2-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-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:

2-methyl-piperidin-4-one hydrochloride (13729-77-6,1434126-97-2) + p-toluenesulfonyl chloride (98-59-9) → 2-methyl-1-tosylpiperidin-4-one (13729-78-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 2h; Inert atmosphere;

Reference yield:

tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate (190906-92-4) → 2-methyl-1-tosylpiperidin-4-one (13729-78-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / diethyl ether / 2 h / 0 °C / Inert atmosphere

2: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

With hydrogenchloride; triethylamine; In diethyl ether; dichloromethane;

Reference yield:

2-methyl-1-tosylpiperidin-4-one (13729-78-7) → 3-bromo-2-methyl-1-tosylpiperidin-4-one (1616709-69-3) + 5-bromo-2-methyl-1-tosylpiperidin-4-one (1616709-70-6)

Guidance literature:

With tetra-N-butylammonium tribromide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

upstream raw materials:

2-methyl-piperidin-4-one hydrochloride

p-toluenesulfonyl chloride

tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate

Downstream raw materials:

2,4-dimethyl-5-tosyl-4,5,6,7-tetrahydrooxazolo[5,4-c]pyridine

2,6-dimethyl-5-tosyl-4,5,6,7-tetrahydrooxazolo[5,4-c]pyridine

3-bromo-2-methyl-1-tosylpiperidin-4-one

5-bromo-2-methyl-1-tosylpiperidin-4-one

Refernces

• 1、 -. "HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES". Paragraph 0231. . Retrieved 2014/07/21.