4'-Piperazinoacetophenone
- CAS No.
- 51639-48-6
- Chemical Name:
- 4'-Piperazinoacetophenone
- Synonyms
- Ethanone, 1-[4-(1-piperazinyl)phenyl]-;NSC 109890;BUTTPARK 62\14-24;LABOTEST-BB LT00138218;4'-azinebenzenethylone;-Piperazinoacetophenone;4-PIPERAZINEACETOPHENONE;4-PIPERAZINOACETOPHENONE;p-Piperazinoacetophenone;4-PIPERAZINEOACETOPHENONE
- CBNumber:
- CB2413837
- Molecular Formula:
- C12H16N2O
- Molecular Weight:
- 204.27
- MDL Number:
- MFCD00005962
- MOL File:
- 51639-48-6.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 107-110 °C(lit.) |
|---|---|
| Boiling point | 342.77°C (rough estimate) |
| Density | 1.0565 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | 2-8°C |
| solubility | Benzene (Slightly, Heated), Chloroform (Slightly), DMSO (Slightly, Heated) |
| pka | 8.80±0.10(Predicted) |
| form | Powder or Chunks |
| color | Yellow |
| InChI | 1S/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3 |
| InChIKey | KPXVKKBJROCIJB-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(cc1)N2CCNCC2 |
| CAS DataBase Reference | 51639-48-6(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H314-H318-H315-H319-H335 | |||||||||
| Precautionary statements | P280-P309-P310-P261-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38-34-21/22 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| RIDADR | 3259 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| HazardClass | 8 | |||||||||
| HS Code | 29335990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
4'-Piperazinoacetophenone price More Price(40)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 136468 | 4′-Piperazinoacetophenone 94% | 51639-48-6 | 5g | $78 | 2023-01-07 | Buy |
| TRC | TRC-P481240-5G | 1-[4-(1-Piperazinyl)phenyl]ethanone | 51639-48-6 | 5g | $90 | 2026-06-03 | Buy |
| TRC | TRC-P481240-2.5G | 1-[4-(1-Piperazinyl)phenyl]ethanone | 51639-48-6 | 2.5g | $76 | 2026-06-03 | Buy |
| TRC | TRC-P481240-1G | 1-[4-(1-Piperazinyl)phenyl]ethanone | 51639-48-6 | 1g | $65 | 2026-06-03 | Buy |
| Activate Scientific | AS51365 | 1-(4-Piperazin-1-yl-phenyl)ethanone 98% | 51639-48-6 | 1g | $25 | 2026-06-04 | Buy |
4'-Piperazinoacetophenone Chemical Properties, Uses, Production
Chemical Properties
yellow powder or chunks
Uses
1-[4-(1-Piperazinyl)phenyl]ethanone is a useful building block for organic synthesis.
Synthesis
110-85-0
403-42-9
51639-48-6
1. Potassium carbonate (2.99 g, 21.6 mmol) was placed in a round-bottomed flask and dried under vacuum with a hot air gun. 2. Tetrabutylammonium bromide (0.045 g, 0.14 mmol) and piperazine (1.54 g, 17.9 mmol) dissolved in anhydrous dimethyl sulfoxide (5 mL) were added sequentially. 3. The reaction mixture was stirred at 80 °C, followed by the addition of 4-fluoroacetophenone (2 g, 14.4 mmol) and the reaction was refluxed for 15 h at the same temperature. 4. After completion of the reaction, the mixture was cooled to room temperature, diluted with water and the solid was collected by filtration. 5. The filtrate was acidified with dilute hydrochloric acid and subsequently extracted with ethyl acetate. 6. The aqueous layer was alkalized with sodium hydroxide and extracted with chloroform. 7. The chloroform layers were combined, dried over anhydrous sodium sulfate and concentrated to give the light yellow solid product 4'-piperazineacetophenone (2.23 g, 75.25% yield, melting point 109°C). 8. The product was analyzed by 1H NMR. 8. The product was characterized by 1H NMR (200 MHz, CDCl3): δ 1.91 (s, 1H), 2.52 (s, 3H), 2.98-3.05 (m, 4H), 3.28-3.35 (m, 4H), 6.87 (d, J = 8.8 Hz, 2H), 7.87 (d, J = 8.8 Hz, 2H).
References
[1] Journal of Medicinal Chemistry, 2017, vol. 60, # 13, p. 5507 - 5520
[2] Patent: WO2014/132267, 2014, A1. Location in patent: Page/Page column 33
[3] Patent: WO2005/7637, 2005, A1. Location in patent: Page 7-8
4'-Piperazinoacetophenone Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Shanghai Sinch Parmaceuticals Tech. Co. Ltd. | +86-21-54098501 | sales@sinch.com.cn | China | 11592 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Maya High Purity Chemicals | +86 (573) 82222445 (0)18006601000 452520369 | sales@maya-r.com | China | 11693 | 57 |
| Thermo Fisher Scientific | 800-810-5118 | cnchemical@thermofisher.com | China | 17752 | 75 |
| Beijing innoChem Science & Technology Co.,Ltd. | 400-810-7969 010-59572699 | ningzi.li@inno-chem.com.cn | China | 6122 | 55 |
