1-Benzyl-3-methyl-4-piperidone
- CAS No.
- 34737-89-8
- Chemical Name:
- 1-Benzyl-3-methyl-4-piperidone
- Synonyms
- 1-BENZYL-3-METHYLPIPERIDIN-4-ONE;1-Benzyl-3-methyl-4-piperidon;Compound Fr12997;TIMTEC-BB SBB001741;1-benzyl-3-Methyl-4-piperdone;N-BeNzyl-3-methyl-4-piperidoNe;1-Benzyl-3-methyl-4-piperidone;1-Benzyl-3-methyl-4-piperidinone;N-Benzyl-3-Methyl-4-piperidinone;4-Piperidone, 1-benzyl-3-methyl-
- CBNumber:
- CB7467916
- Molecular Formula:
- C13H17NO
- Molecular Weight:
- 203.28
- MDL Number:
- MFCD00044806
- MOL File:
- 34737-89-8.mol
- MSDS File:
- SDS
| Boiling point | 99°C/0.05mmHg(lit.) |
|---|---|
| Density | 1.0156 (rough estimate) |
| refractive index | 1.5315-1.5335 |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Chloroform, Methanol |
| pka | 7.11±0.40(Predicted) |
| form | Liquid |
| color | Clear slightly yellow to yellow |
| InChI | InChI=1S/C13H17NO/c1-11-9-14(8-7-13(11)15)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| InChIKey | OVQAJYCAXPHYNV-UHFFFAOYSA-N |
| SMILES | N1(CC2=CC=CC=C2)CCC(=O)C(C)C1 |
| CAS DataBase Reference | 34737-89-8(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS07 |
|---|---|
| Signal word | Danger |
| Hazard statements | H302-H314 |
| Precautionary statements | P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501 |
| Hazard Codes | C |
| Risk Statements | 34-22 |
| Safety Statements | 45-36/37/39-26 |
| RIDADR | 2735 |
| HazardClass | 8 |
| PackingGroup | Ⅲ |
| HS Code | 29333990 |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
1-Benzyl-3-methyl-4-piperidone price More Price(45)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | B4465 | 1-Benzyl-3-methyl-4-piperidone >98.0%(GC)(T) | 34737-89-8 | 1g | $55 | 2026-04-30 | Buy |
| TCI Chemical | B4465 | 1-Benzyl-3-methyl-4-piperidone >98.0%(GC)(T) | 34737-89-8 | 5g | $172 | 2026-04-30 | Buy |
| Activate Scientific | AS39047-rac | 1-Benzyl-3-methylpiperidin-4-one 98% | 34737-89-8 | 5g | $23 | 2026-06-04 | Buy |
| Activate Scientific | AS39047-rac | 1-Benzyl-3-methylpiperidin-4-one 98% | 34737-89-8 | 25g | $56 | 2026-06-04 | Buy |
| Activate Scientific | AS39047-rac | 1-Benzyl-3-methylpiperidin-4-one 98% | 34737-89-8 | 100g | $180 | 2026-06-04 | Buy |
1-Benzyl-3-methyl-4-piperidone Chemical Properties, Uses, Production
Chemical Properties
clear slightly yellow to yellow liquid
Uses
1-Benzyl-3-methyl-4-piperidone is a piperidine derivative used in the preparation of Fentanyl (F274990) analogs with analgesic activity.
Synthesis
3612-20-2
74-88-4
34737-89-8
A solution of 1-benzylpiperidin-4-one (60 g, 0.3 mol) in THF (100 mL) was slowly added dropwise to a tetrahydrofuran (THF, 600 mL) suspension of NaH (15 g, 0.38 mol, 60% dispersed in mineral oil) at 0 °C. After the dropwise addition was completed, the reaction mixture was continued to be stirred at 0 °C for 30 min. Subsequently, methyl iodide (67 g, 0.47 mol) was added to the reaction system and the reaction mixture was warmed to 60 °C and stirred overnight. After completion of the reaction, the mixture was cooled to room temperature and filtered to remove insoluble impurities. The filtrate was washed with water and subsequently extracted with ethyl acetate (EtOAc, 3 x 300 mL). The organic phases were combined, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: petroleum ether (PE):ethyl acetate (EtOAc) = 5:1) to afford 1-benzyl-3-methylpiperidin-4-one (30 g, 47% yield) as a yellow oil.1H NMR (400 MHz, DMSO-d6): δ 7.20-7.35 (m, 5H), 3.58 (s, 2H) 2.95-3.02 (m, 2H), 2.48-2.62 (m, 2H), 2.26-2.32 (m, 1H), 2.10-2.18 (m, 1H), 2.00 (q, 1H), 0.81 (d, 3H).
References
[1] Patent: WO2010/114971, 2010, A1. Location in patent: Page/Page column 138
[2] Patent: US5789595, 1998, A
[3] Patent: US4639522, 1987, A
[4] Patent: WO2016/107832, 2016, A1. Location in patent: Page/Page column 90
1-Benzyl-3-methyl-4-piperidone Preparation Products And Raw materials
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