2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis(2-chloro-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetyl chloride | 136534-35-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis(2-chloro-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetyl chloride
• CAS: 136534-35-5
• 化学式: C₇₈H₉₀Cl₆O₁₂
• 分子量: 1432.28
• InChiKey: OQAPMEFRVWKMBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.19
• 重原子数：
  96.0
• 可旋转键数：
  18.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  157.8
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  O-苄基羟胺 、 2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis(2-chloro-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetyl chloride 以 四氯化碳 为溶剂， 生成 37,38,39,40,41,42-hexakis(N-benzyloxycarbamoylmethoxy)-p-tert-butylcalix<6>arene
  参考文献：
  名称：

  Nagasaki, Takeshi; Shinkai, Seji; Matsuda, Tsutomu, Journal of the Chemical Society. Perkin transactions I, 1990, # 9, p. 2617 - 2618

  摘要：

  DOI：
• 作为产物：
  描述：

  37,38,39,40,41,42-hexakis(carboxymethoxy)-5,11,17,23,29,35-hexakis(1,1-dimethylethyl)calix[6]arene 在 草酰氯 作用下， 生成 2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis(2-chloro-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetyl chloride
  参考文献：
  名称：

  Calixarene-Based Amide Ionophores for Group IIA Metal Cations

  摘要：

  在溶剂萃取过程中，由钙钛矿合成的含酰胺功能的低聚物对 IIA 族阳离子而非 IA 族阳离子具有独特的选择性。

  DOI：

  10.1246/cl.1987.947

文献信息

• Effect of dynamic loading on ductile crack initiation behaviour of notched specimen with strength mismatch
  作者：G.-B. An、M. Ohata、J.-U. Park、M. Toyoda

  DOI：10.1179/174329306x77894

  日期：2006.2

  The present study focuses on the effects of a geometrical discontinuity, strength mismatching, which can increase plastic constraint due to heterogeneous plastic straining, and the loading rate on the critical condition for ductile fracture initiation using a two-parameter criterion based on equivalent plastic strain and stress triaxiality. Fracture initiation testing was conducted under dynamic loading using circumferentially notched bend specimens. In order to evaluate the condition for the ductile crack initiation state in the specimens, a thermal elastic/plastic dynamic finite element analysis considering the temperature increase due to plastic deformation was performed. The two-parameter criterion was shown to be applicable to ductile cracking from the surface of the prenotched root in the strength mismatched specimen under dynamic bend loading.

  本研究采用基于等效塑性应变和应力三轴性的双参数准则，重点研究了几何不连续性、强度不匹配（可因异质塑性应变而增加塑性约束）以及加载速率对韧性断裂起始临界条件的影响。在动态加载条件下，使用圆周缺口弯曲试样进行了断裂萌发测试。为了评估试样中韧性裂纹萌发状态的条件，进行了热弹性/塑性动态有限元分析，考虑了塑性变形引起的温度升高。结果表明，在动态弯曲加载条件下，双参数准则适用于从强度不匹配试样的预缺口根部表面开始的延性开裂。
• Design of Calixarene‐Type Ligands for Second Sphere Complexation of Noble Metal Ions
  作者：Kamel Belhamel、T. K. Dzung Nguyen、Mohamed Benamor、Rainer Ludwig

  DOI：10.1002/ejic.200300219

  日期：2003.11

  Macrocyclic ligands were designed according to the principle of ion recognition, synthesized and tested in their capability to extract Au III . Different from other complexants which require ligand exchange prior to complexation, the reported ligands bind the complexes AuCl3 and AuCl4 − . With a sufficiently sized macrocyclic cavity, hydrophobic calix[6]arenes derivatized at the ‘‘lower rim’ were employed

  大环配体是根据离子识别原理设计的，合成并测试了它们提取Au III 的能力。与其他在络合前需要配体交换的络合剂不同，报道的配体结合了络合物 AuCl3 和 AuCl4 - 。具有足够大的大环腔，在“下边缘”衍生的疏水杯[6]芳烃被用于该目的。它们的连接官能团包含吡啶基、酰胺或硫代酰胺基团，以实现电子供体-受体和静电宿主-客体相互作用。我们
• Nagasaki, Takeshi; Shinkai, Seiji, Journal of the Chemical Society. Perkin transactions II, 1991, # 7, p. 1063 - 1066
  作者：Nagasaki, Takeshi、Shinkai, Seiji

  DOI：——

  日期：——