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CAS RN: 41864-22-6 | 产品编码: C2325

1,1'-Carbonyldi(1,2,4-triazole)


纯度/分析方法: >97.0%(T)
别名:
  • 1,1'-羰基二(1,2,4-三唑)
  • 1,1'-羰基双(1,2,4-三唑)
  • 1,1'-Carbonylbis(1,2,4-triazole)
  • CDT
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产品编码 C2325
纯度/分析方法 >97.0%(T)
分子式/分子量 C__5H__4N__6O = 164.13 
外观与形状(20°C) 固体
储存温度 0-10°C
储存在惰性气体下 存放于惰性气体之中
应避免的情况 湿气 (分解),加热
CAS RN 41864-22-6
Reaxys-RN 10250
PubChem物质ID 87560964
MDL编号

MFCD00043399

技术规格
Appearance White to Almost white powder to crystal
Purity(Nonaqueous Titration) min. 97.0 %
Melting point 148.0 to 152.0 °C
物性(参考值)
熔点 150 °C
溶解性(可溶于) 甲醇
GHS
象形图 Pictogram Pictogram
信号词 危险
危险性说明 H302 : 吞咽有害。
H318 : 造成严重眼损伤。
防范说明 P501 : 将内装物/容器送到批准的废物处理厂处理。
P270 : 使用本产品时不要进食、饮水或吸烟。
P264 : 作业后彻底清洗皮肤。
P280 : 戴防护眼罩/戴防护面具。
P301 + P312 + P330 : 如误吞咽:如感觉不适,呼叫急救中心/医生。漱口。
P305 + P351 + P338 + P310 : 如进入眼睛:用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出,取出隐形眼镜。继续冲洗。立即呼叫急救中心/医生。
相关法规
新化学物质备案回执号 B1A232216316
运输信息
监管条件代码(*)
应用
TCI Practical Example: Condensation Using 1,1’-Carbonyldi(1,2,4-triazole)

TCI Practical Example: Condensation Using 1,1’-Carbonyldi(1,2,4-triazole)

Used Chemicals

Procedure

To a solution of compound 3-(3,4-dimethoxyphenyl)propionic acid (0.10 g, 0.48 mmol), CDT (0.10 g, 0.62 mmol) in dichloromethane (5.0 mL) was added triethylamine (0.086 mL, 0.62 mmol) at ambient temperature and stirred at same temperature for 30 minutes. The mixture was added 4-methylbenzylamine (0.078 mL, 0.62 mmol) stirred at same temperature for 1 hour. After reaction completed, the solvent was removed under reduced pressure and the residue was purified by column chromatography (ethyl acetate:hexane = 3:7 - 1:1 on silica gel) to give 1 (0.15 g,y. 91%) as a white solid.

Experimenter’s Comments

The reaction mixture was monitored by UPLC.

Analytical Data

compound 1

1H NMR (400 MHz, CDCl3); δ 7.10 (2H, d, J = 8.0 Hz), 7.05 (2H, d, J = 8.0 Hz), 6.78-6.70 (3H, m), 5.58 (1H, brs), 4.36 (2H, d, J = 5.6 Hz), 3.85 (3H, s), 3.83 (3H, s), 2.94 (2H, t, J = 7.6 Hz), 2.48 (2H, t, J = 7.6 Hz), 2.32 (3H, s).

Lead Reference


应用
Condensing Agent

Experimental procedure: A solution of p-(dimethylamino)cinnamic acid 1 (500 mg, 2.6 mmol) and CDT (480 mg, 2.9 mmol) in CH2Cl2 (50 mL) and acetone (10 mL) is stirred at room temperature for 4 h. The solution is then washed with saturated aqueous NaHCO3 (3 x 20 mL) and brine (20 mL) and dried (Na2SO4). The organic layer is concentrated under reduced pressure to give (dimethylamino)cinnamoyl triazole 2 (484 mg, 81%).
  To a solution (1R, 2R)-trans-cyclohexanediol (3.0mg, 0.026 mmol) and 2 (22 mg, 0.1 mmol) in CH2Cl2 (2 mL) is added a solution of DBU (ca. 0.04 mL, 0.01 mol/L in CH2Cl2). The solution is then stirred at room temperature for 6 h, and it is the concentrated under reduced pressure. The product is isolated by preparative TLC (silica gel, hexane:EtOAc = 2:1) to give the diester 3 (10.1 mg, 84%) as a yellow solid.

Reference


参考文献


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