Na2Ts3DET | 52601-80-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Na2Ts3DET
• 英文别名: Sodium;(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylethyl]amino]ethyl]azanide
• CAS: 52601-80-6
• 化学式: C₂₅H₂₉N₃O₆S₃*2Na
• 分子量: 609.699
• InChiKey: REYIPDZOBIPWKP-UHFFFAOYSA-N

物化性质

• 熔点：
  275 °C (dec.) (lit.)
• 溶解度：
  在95%乙醇的溶解度为25mg/mL，澄清，无色至黄色

计算性质

• 辛醇/水分配系数(LogP)：
  1.13
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  9

安全信息

• WGK Germany：
  3
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  Na2Ts3DET 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  An Enaminone-Directed Benzannulation/Macrocyclization Approach to Cyclophane Ring Systems

  摘要：

  A straightforward and modular preparative approach to 1,3,5-triaroylbenzene-based functionalized cyclophane ring systems has been developed. The key cyclophane-forming macrocyclization reaction was accomplished during the course of a regioselective cross-benzannulation between bis(aryl ethynyl) ketone and enaminone reactants. Macrocyclic products with ring sizes ranging from 18-to 22-membered were successfully constructed. The composition of the tether connecting the two aryl ethynyl ketone fragments can be easily varied; consequently, this method is suitable for construction of a diverse range of structurally distinct cyclophane products. To illustrate this feature, cyclophanes possessing xylyl, alkyl, di(ethylene triamine), and di(ethylene oxy) bridging units were synthesized in isolated yields of 11-46%. Three new cyclophanes (calixarene-like macrocyles 8 and 9, as well as crownophane 18) were structurally characterized by X-ray diffractometry.

  DOI：

  10.1021/jo0256181
• 作为产物：