| Identification | Back Directory | [Name]
tert-Butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate | [CAS]
154590-34-8 | [Synonyms]
1-Boc-4-(2-Fluoro-4-nitrophenyl)piperazine,97%
1-Boc-4-(2-Fluoro-4-nitrophenyl)piperazine, 97%
4-(2-Fluoro-4-nitrophenyl)piperazine, N1-BOC protected
tert-Butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate
3-Fluoro-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]nitrobenzene
1-Piperazinecarboxylic acid, 4-(2-fluoro-4-nitrophenyl)-, 1,1-dimethylethyl ester | [Molecular Formula]
C15H20FN3O4 | [MDL Number]
MFCD08443959 | [MOL File]
154590-34-8.mol | [Molecular Weight]
325.335 |
| Chemical Properties | Back Directory | [Melting point ]
153-155 °C(Solv: ethyl ether (60-29-7)) | [Boiling point ]
453.5±45.0 °C(Predicted) | [density ]
1.270±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solid | [pka]
0.11±0.10(Predicted) | [Appearance]
Light yellow to yellow Solid | [CAS DataBase Reference]
154590-34-8 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of tert-butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate:
1. 1-(2-fluoro-4-nitrophenyl)piperazine (12.5 g, 55.8 mmol) was dissolved in 1,4-dioxane (108 mL) under cooling conditions in an ice bath.
2. 1N sodium hydroxide solution (54 mL) and di-tert-butyl dicarbonate (14 mL, 61.38 mmol) were added sequentially to the above solution.
3. The temperature of the reaction mixture was adjusted to 25-35°C and stirred continuously for 0.5 hours.
4. Upon completion of the reaction, the mixture was poured into ice-cold water (200 mL) and a yellow precipitate was precipitated.
5. The precipitate was collected by filtration through a Büchner funnel to afford the target product tert-butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate (18.0 g, 99% yield).
Product characterization data:
1H NMR (CDCl3): δ 8.01-7.88 (m, 2H), 6.93 (t, J = 8.6 Hz, 1H), 3.61 (t, J = 4.9 Hz, 4H), 3.24 (t, J = 4.9 Hz, 4H), 1.49 (s, 9H).
IR (KBr, cm-1): 3119, 1692, 1605, 1512.
CI-MS (m/z): 326 (M++1), 270, 240, 226, 195, 183, 131, 96. | [References]
[1] Patent: WO2005/82892, 2005, A2. Location in patent: Page/Page column 61
[2] Patent: CN107033095, 2017, A. Location in patent: Paragraph 0085; 0086
[3] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 19, p. 4261 - 4267
[4] Patent: US2004/220194, 2004, A1. Location in patent: Page 13; 14
[5] Patent: US2005/239795, 2005, A1. Location in patent: Page/Page column 18 |
|
| Company Name: |
Alfa Aesar
|
| Tel: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Cool Pharm, Ltd
|
| Tel: |
021-60455363 18019463053 |
| Website: |
www.coolpharm.com |
|