54535-22-7 2-苯基氨基亚甲基-丙二酸二乙酯

TSCA:No

主要用于医药领域（具体用途未明确说明，基于其在多个医药相关文献中的出现）。

医药

合成路线 1（1. 合成：54535-22-7）

产率：100% 合成条件：at 120 - 130℃; for 16.50 h; 实验步骤：将苯胺（2.733mL，29.99mMol）在乙氧基亚甲基丙二酸二乙酯（6.063mL，30.00mMol）中在120-130℃下搅拌16.5小时。板层分析（乙酸乙酯环己烷，1：1）显示存在一种UV活性产物（Rf 0.84）并完全消耗两种原料。冷却反应溶液至室温后，中间体2 - （（苯基氨基）亚甲基）丙二酸二乙酯35固化（为深黄色结晶固体，7.899g，定量）。熔点36-37℃; HRMS（EIj：实测值263.11531 [M] C 14 H 17 N 4理论值263.11521; Vmax（薄膜）：3265,3184（w，NH），3050（w，ArC-H），2981,2936,2904,2871（m，烷基CH）， 1717（s，2 x分子内氢键C = O与C = C共轭），1691（s，C = C-NH），1655（s，C = N-），1623（s，芳基共轭C = C） ，1255（s，CN伸展）cm'; 6H（CD3CN，500MHz）：1.31（3H，t，JCH3，CH2 7.1Hz，CH3），1.32（3H，t，JCH3，CH2 7.2Hz，CH3），4.19 （2H，q，JCH2，CH3 7.2Hz，CH2），4.25（2H，q，JCH2，CH3 7.1Hz，CH2），7.16（1H，tt，JparaArH，metaArHs 7.4Hz，JparaArH，orthoArHs 1.1Hz，para-ArH） ），7.20（2H，dt，Jortho＆-Hs，metaArHs 7.6Hz，JorthoArHsparaArH 1.0Hz，2×orthoArHs），7.38（2H，m，J 7.4Hz，2×metaArHs），8.48（1H，d，JCH，NH 13.8） Hz，CH-NH），10.81（1H，d，JNH，CH 13.6Hz，CH-NI]）; 6c（CD3CN，125MHz）：14.1,14.2（2×CH3），60.3,60.6（2×CH2） ，93.9（O = CCC = O），117.6（2×邻-ArCs），125.1（paraArC），130.1（2×metaArCs），139.8（ArCquat-NH），151.9（NH-CH），165.6（C = O）， 168.8（氢键C = O）。 参考文献：

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