941685-26-3 4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7H-吡咯并[2,3-d]嘧啶

中文名称: 4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7H-吡咯并[2,3-d]嘧啶
英文名称: 4-Chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
CAS号
分子式: C₁₂H₁₈ClN₃OSi
分子量: 283.83
更新日期: 2026-06-23

名称和标识

中文名: 4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7H-吡咯并[2,3-d]嘧啶
英文名: 4-Chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
CAS号: 941685-26-3
分子式: C12H18ClN3OSi
分子量: 283.83
中文别名: 4-氯-7-((2-(三甲基硅基)乙氧基)甲基)-7H-吡咯并[2,3-d]嘧啶; 4-氯-7-[[2-(三甲基硅烷基)乙氧基]甲基]-7H-吡咯并[2,3-D]嘧啶; 4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7H-吡咯并[2,3-D]嘧啶; 巴瑞克替尼中间体5; 巴瑞替尼杂质4; 巴利替尼杂质9; 巴瑞克替尼杂质72; 4-氯-7-((2-(三甲基硅烷基)乙氧基)甲基)-7H-吡咯并(2,3-d)嘧啶
英文别名: 7-((2-(triMethylsilyl)ethoxy)Methyl)-4-chloro-7H-pyrrolo[2,3-d]pyriMidine; 7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-7-[[2-(triMethylsilyl)ethoxy]Methyl]-; 2-[(4-CHLOROPYRROLO[2,3-D]PYRIMIDIN-7-YL)METHOXY]ETHYL-TRIMETHYLSILANE; 4-chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrolo[2,3-D]pyrimidine; Baricitinib Impurity 72; Ruxolitinib SEM Chloro pyrimidine; 4-Chloro-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine

物化属性

LogP: 3.13
储存条件: 室温, under inert gas (nitrogen or Argon) at 2-8°C
外观: 白色至灰白色固体
密度: 1.2±0.1 g/cm³
折射率: 1.554
拓扑极性表面积: 39.94000
沸点: 368.3±37.0 °C (760 mmHg)
精确质量: 283.090759
蒸汽压: 0.0±0.8 mmHg (25°C)
酸度系数(pKa): 3.00±0.30 (Predicted)
闪点: 176.6±26.5 °C

安全信息

安全说明

干冰运输，危险性质非危险化学品，危险等级为IRRITANT（刺激性）

生产及用途

用途与制备

作为有机合成中间体和医药中间体，主要用于实验室研发过程和化工生产过程中。

医药中间体; 有机合成中间体

合成路线 1（1. 合成：941685-26-3）

步骤：在用冰盐浴冷却下，将氢化钠（340mg，60％）分两部分加入到4-氯吡咯并嘧啶（3a）（1.0g，6.5mmol）的DMF（15mL）溶液中，同时保持温度为0℃。反应物不高于10℃，在氮气氛下保护反应1小时。通过注射器缓慢加入SEMCI（1.4g，8.5mmol），同时保持温度不高于10℃。将反应温热至室温，搅拌过夜。将反应用水淬灭，用EA萃取，经无水硫酸钠干燥，浓缩有机相，并通过制备型快速色谱法（PE：EA = 19：1）纯化，得到4-氯-7-((2-(三甲基甲硅烷基)乙氧基)甲基)-7H-吡咯并[2,3-d]嘧啶（3b）（1.834g，油状产物）。
条件：Stage #1: With sodium hydride In N,N-dimethyl-formamide; mineral oil at 10℃; for 1 h; Cooling with ice; Inert atmosphere；Stage #2: at 10 - 20℃。
产率：97%。
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