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CAS RN: 2451065-67-9 | 产品编码: A3419
N-(2-Aminoethyl)-N-benzylglycine Bis(trifluoroacetate)
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纯度/分析方法: >98.0%(T)(HPLC)
别名：
- N-(2-氨基乙基)-N-苄基甘氨酸双(三氟乙酸盐)
- N-(2-氨基乙基)-N-苄基甘氨酸双(2,2,2-三氟乙酸盐)
- N-(2-氨基乙基)-N-(苯甲基)甘氨酸双(2,2,2-三氟乙酸盐)
- N-(2-Aminoethyl)-N-benzylglycine Bis(2,2,2-trifluoroacetic Acid)
- N-(2-Aminoethyl)-N-(phenylmethyl)glycine Bis(2,2,2-trifluoroacetat)
产品文档：
| 产品编码 | A3419 |
| 纯度/分析方法 | >98.0%(T)(HPLC) |
| 分子式/分子量 | C__1__1H__1__6N__2O__2·2C__2HF__3O__2 = 436.31 |
| 外观与形状（20°C） | 固体 |
| 储存温度 | 室温 (15°C以下阴凉干燥处) |
| 储存在惰性气体下 | 存放于惰性气体之中 |
| 应避免的情况 | 空气,湿气 (吸湿) |
| 包装和容器 | 1G-Glass Bottle with Plastic Insert （查看图片） |
| CAS RN | 2451065-67-9 |
| Reaxys-RN | 36295049 |
| PubChem物质ID | 468590292 |
技术规格
| Appearance | White to Light yellow powder to crystal |
| Purity(HPLC) | min. 98.0 area% |
| Purity(Nonaqueous Titration) | min. 98.0 % |
| Melting point | 117.0 to 121.0 °C |
| NMR | confirm to structure |
物性（参考值）
| 熔点 | 119 °C |
GHS
| 象形图 |
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| 信号词 | Warning |
| 危险性说明 | H315 : Causes skin irritation. H319 : Causes serious eye irritation. |
| 防范说明 | P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ eye protection/ face protection. P302 + P352 : IF ON SKIN: Wash with plenty of water. P337 + P313 : If eye irritation persists: Get medical advice/ attention. P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P362 + P364 : Take off contaminated clothing and wash it before reuse. P332 + P313 : If skin irritation occurs: Get medical advice/ attention. |
相关法规
运输信息
| HS编码* | 2922.49-000 |
应用
TCI Practical Example: Synthesis of 3-arylpiperazine using visible light with [Ir(ppy)2(dtbbpy)]PF6 catalyst
Used Chemicals
Procedure
An oven-dried Schlenck tube was charged with N-(2-aminoethyl)-N-benzylglycine bis(trifluoroacetate) (88 mg, 0.20 mmol), and the system was degassed through N2 purging (3 x 5 min). 1 mol/L KOH solution in methanol (0.82 mL, 0.82 mmol) and 4-fluorobenzaldehyde (35 mg, 0.28 mmol) were subsequently added. The reaction mixture was stirred at room temperature for 0.5 h. A solution of [Ir(ppy)2(dtbbpy)]PF6 (1.8 mg, 2.0 x 10-3 mmol) in dry acetonitrile (3.2 mL) was added. The reaction was degassed with N2 bubbling before starting the irradiation and was stirred at room temperature under the exposure of blue LEDs for 3 h. The solution was filtered to remove the trifluoroacetate salt formed. The resulting mixture was concentrated under vacuum and purified with column chromatography (1 : 99 methanol / ethyl acetate on SiO2), giving 1-benzyl-3-(4-fluorophenyl)piperazine as a yellow oil (43 mg, 80%).
Experimenter's Comments
The reaction mixture was monitored by TLC (ethyl acetate, Rf = 0.25) and LCMS.
Analytical Data（1-Benzyl-3-(4-fluorophenyl)piperazine）
1H NMR (400 MHz, CDCl3); δ 7.35–7.20 (m, 7H), 6.99–6.91 (m, 2H), 4.29 (br, 1H) 3.94 (dd, 1H, J = 10.4, 2.8 Hz), 3.55 (s, 2H), 3.06–2.98 (m, 2H), 2.89–2.82 (m, 2H), 2.27 (ddd, 1H, 11.2, 9.2, 4.8 Hz), 2.20 (m, 1H).
13C NMR (101 MHz, CDCl3); δ 163.8, 161.3, 137.4, 135.7, 129.2, 128.4, 127.5, 115.5, 63.0, 59.5, 51.9, 45.5.
Lead Reference
- Visible-Light-Driven CarboxyLic Amine Protocol (CLAP) for the Synthesis of 2-Substituted Piperazines under Batch and Flow Conditions
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