- 1-(4-Nitrophenyl)piperazine
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- $15.00 / 1KG
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2021-07-13
- CAS:6269-89-2
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
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| | 1-(4-Nitrophenyl)piperazine Basic information |
| | 1-(4-Nitrophenyl)piperazine Chemical Properties |
| Melting point | 131-133 °C (lit.) | | Boiling point | 346.25°C (rough estimate) | | density | 1.1933 (rough estimate) | | refractive index | 1.4830 (estimate) | | storage temp. | Storage temp. 2-8°C | | pka | 8.68±0.10(Predicted) | | form | Crystalline Powder, Crystals and/or Chunks | | color | White to beige to gray | | InChI | InChI=1S/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2 | | InChIKey | VWOJSRICSKDKAW-UHFFFAOYSA-N | | SMILES | N1(C2=CC=C([N+]([O-])=O)C=C2)CCNCC1 | | CAS DataBase Reference | 6269-89-2(CAS DataBase Reference) | | NIST Chemistry Reference | N-p-nitrophenylpiperazine(6269-89-2) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-37/39-24/25-36 | | RIDADR | 2811 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29335990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 1-(4-Nitrophenyl)piperazine Usage And Synthesis |
| Chemical Properties | yellow to ochre powder | | Uses | 1-(4-Nitrophenyl)piperazine is a useful synthetic intermediate in the synthesis of Itraconazole (I937500); an orally active antimycotic structurally related to Ketoconazole. Also antifungal. | | General Description | Inclusion interactions of 1-(4-nitrophenyl)piperazine with 4-sulfonatocalix[n]arenes were investigated by UV spectroscopy and fluorescence spectroscopy. | | Synthesis | A solution of 1-chloro-4-nitrobenzene (650 g, 4.140 mol) in diethylene glycol dimethyl ether (1 L) was slowly added dropwise to a solution of piperazine (2.84 Kg, 33.12 mol) in diethylene glycol dimethyl ether (500 mL) at 100 °C. The reaction mixture was stirred continuously at 100°C for 6 hours. Upon completion of the reaction, the mixture was cooled to 40-45 °C and water (5 L) was slowly added to quench the reaction. Subsequently, the mixture was warmed to room temperature and stirring was continued for 1 hour. The precipitated solid was collected by filtration, washed sequentially with water (1 L) and petroleum ether (500 mL), and dried to give 700 g (81% yield) of 4-nitrophenylpiperazine as a yellow solid. [TLC detection conditions: ethyl acetate:petroleum ether (3:7); Rf value: 0.70]. | | References | [1] Tetrahedron Letters, 1999, vol. 40, # 31, p. 5655 - 5659
[2] Organic Letters, 2016, vol. 18, # 20, p. 5272 - 5275
[3] Patent: WO2016/79536, 2016, A1. Location in patent: Page/Page column 34-35
[4] Patent: WO2017/203270, 2017, A1. Location in patent: Page/Page column 30; 33; 34
[5] Patent: WO2018/45106, 2018, A1. Location in patent: Paragraph 00133 |
| | 1-(4-Nitrophenyl)piperazine Preparation Products And Raw materials |
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