4-(Methylsulfonyl)cyclohexanone
- CAS No.
- 862129-72-4
- Chemical Name:
- 4-(Methylsulfonyl)cyclohexanone
- Synonyms
- 4-Methanesulfonyl-cyclohexanone;4-(Methylsulfonyl)cyclohexanone;4-methanesulfonylcyclohexan-1-one;4-(Methylsulfonyl)cyclohexan-1-one;Cyclohexanone, 4-(methylsulfonyl)-;4-methanesulfonylcyclohexan-1-one - [M87607]
- CBNumber:
- CB52705856
- Molecular Formula:
- C7H12O3S
- Molecular Weight:
- 176.23
- MDL Number:
- MFCD21648605
- MOL File:
- 862129-72-4.mol
- MSDS File:
- SDS
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
4-(Methylsulfonyl)cyclohexanone price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Biosynth | MJB12972 | 4-(Methylsulfonyl)cyclohexanone | 862129-72-4 | 0.5g | $418.9 | 2026-06-04 | Buy |
| Biosynth | MJB12972 | 4-(Methylsulfonyl)cyclohexanone | 862129-72-4 | 5g | $1770 | 2026-06-04 | Buy |
| Matrix Scientific | 302985 | 4-(Methylsulfonyl)cyclohexan-1-one | 862129-72-4 | 100.00mg | $58 | 2026-05-19 | Buy |
| Matrix Scientific | 302985 | 4-(Methylsulfonyl)cyclohexan-1-one | 862129-72-4 | 250.00mg | $86 | 2026-05-19 | Buy |
| Matrix Scientific | 302985 | 4-(Methylsulfonyl)cyclohexan-1-one | 862129-72-4 | 1.00g | $260 | 2026-05-19 | Buy |
4-(Methylsulfonyl)cyclohexanone Chemical Properties, Uses, Production
Uses
4-Methylsulfonylcyclohexanone is a reactant used in the preparation of piperidine derivatives as selective estrogen receptor modulators (SERMs) for the potential treatment of uterine fibroids.
Synthesis
38053-91-7
3680-02-2
862129-72-4
GENERAL STEPS: To a solution of methyl vinyl sulfone (10.0 g, 94 mmol) in benzene (50 mL) was added 2-trimethylsiloxy-1,3-butadiene (14.07 g, 99 mmol) and hydroquinone (20 mg, 0.182 mmol). The mixture was degassed several times at -78 °C and subsequently heated. The reaction mixture was sealed and heated at 105 °C for 48 hours. The reaction process was analyzed by nuclear magnetic resonance (NMR) in deuterated chloroform (CDCl3), showing about 10% residual methyl vinyl sulfone. 2-Trimethylsilyloxy-1,3-butadiene (4 mL) was added additionally and heating was continued for 48 h. NMR analysis was performed again after 72 h and showed that the amount of methyl vinyl sulfone was further reduced to 3%. The sample in the NMR tube was combined with the reaction mixture and concentrated under vacuum at room temperature (19 °C) to a viscous gel. The mixture was re-diluted with acetone (250 mL) to obtain a clarified solution. The mixture was cooled in an ice bath. Pre-cooled 0.25 N HCl (4 mL) was added to form a turbid mixture, which became clear after stirring at 0°C for 15 min, then became turbid again within 10 min and remained turbid for the remaining stirring time. A 50 μL aliquot was taken, quickly dried to form a film, and analyzed by NMR in CDCl3, showing a 7% residue of methyl vinyl sulfone relative to the target product, 4-methylsulfonylcyclohexyl ketone. After a total reaction time of about 1 hour, the acetone solution was filtered through a bed of H-short silica gel and washed with more acetone. The filtrate was concentrated on a rotary evaporator at 19°C bath temperature. The crude product was divided into two portions of 7.75 g each for subsequent purification. Purification by silica gel column chromatography (elution gradient: 30% ethyl acetate/hexane to 100% ethyl acetate; two 330 g silica gel columns were used) afforded 4-methanesulfonylcyclohexyl ketone (16.7 g, 100% yield) as a white solid.1H NMR (400 MHz, CDCl3) δ 3.29 (tt, J = 11.0, 3.9 Hz, 1H), 1H 2.94 (s, 3H), 2.73-2.62 (m, 2H), 2.58-2.37 (m, 4H), 2.15 (qd, J = 11.9, 4.5 Hz, 2H).
References
[1] Patent: WO2017/134596, 2017, A1. Location in patent: Page/Page column 209; 210
4-(Methylsulfonyl)cyclohexanone Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
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