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CAS RN: 2451065-67-9 | 產(chǎn)品編碼: A3419
N-(2-Aminoethyl)-N-benzylglycine Bis(trifluoroacetate)
純度/分析方法: >98.0%(T)(HPLC)
- N-(2-氨基乙基)-N-芐基甘氨酸雙(三氟乙酸鹽)
- N-(2-氨基乙基)-N-芐基甘氨酸雙(2,2,2-三氟乙酸鹽)
- N-(2-氨基乙基)-N-(苯甲基)甘氨酸雙(2,2,2-三氟乙酸鹽)
- N-(2-Aminoethyl)-N-benzylglycine Bis(2,2,2-trifluoroacetic Acid)
- N-(2-Aminoethyl)-N-(phenylmethyl)glycine Bis(2,2,2-trifluoroacetat)
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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 |
熔點(diǎn) | 119 °C |
象形圖 | |
信號(hào)詞 | 警告 |
危險(xiǎn)性說明 | H315 : 造成皮膚刺激。 H319 : 造成嚴(yán)重眼刺激。 |
防范說明 | P264 : 作業(yè)后徹底清洗皮膚。 P280 : 戴防護(hù)手套/戴防護(hù)眼罩/戴防護(hù)面具。 P302 + P352 : 如皮膚沾染:用水充分清洗。 P337 + P313 : 如仍覺眼刺激:求醫(yī)/就診。 P305 + P351 + P338 : 如進(jìn)入眼睛:用水小心沖洗幾分鐘。如戴隱形眼鏡并可方便地取出,取出隱形眼鏡。繼續(xù)沖洗。 P362+P364 : 脫掉沾污的衣服,清洗后方可重新使用。 P332 + P313 : 如發(fā)生皮膚刺激:求醫(yī)/就診。 |
新化學(xué)物質(zhì)備案回執(zhí)號(hào) | B1A232232151 |
監(jiān)管條件代碼(*) |
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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