4,4''-bis(chloromethyl)-p-terphenyl | 115414-79-4

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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: 4,4''-bis(chloromethyl)-p-terphenyl
• 英文别名: 4.4''-Di-chlormethyl-terphenyl；4,4''-Bis-chloromethyl-[1,1';4',1'']terphenyl；1,4-bis[4-(chloromethyl)phenyl]benzene
• CAS: 115414-79-4
• 化学式: C₂₀H₁₆Cl₂
• 分子量: 327.253
• InChiKey: LTFHXGBCMYSTDB-UHFFFAOYSA-N

物化性质

• 沸点：
  499.7±45.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4,4''-bis(chloromethyl)-p-terphenyl 在 lithium aluminium tetrahydride 作用下， 生成 4,4''-二甲基-1,1':4',1''-三联苯
  参考文献：
  名称：

  Dicarboxylation of Terphenyl

  摘要：

  DOI：

  10.1021/ja01497a035
• 作为产物：
  描述：

  4,4''-Terphenyldicarbocylic acid dichloride 在 吡啶 、 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 生成 4,4''-bis(chloromethyl)-p-terphenyl
  参考文献：
  名称：

  Dicarboxylation of Terphenyl

  摘要：

  DOI：

  10.1021/ja01497a035

文献信息

• Synthetic Bis-Metal Ion Receptors for Bis-Imidazole "Protein Analogs"
  作者：Sanku Mallik、Robert D. Johnson、Frances H. Arnold

  DOI：10.1021/ja00099a007

  日期：1994.10

  We are investigating an approach to protein recognition that is based on matching a pattern of metal ions in a synthetic receptor to a complementary pattern of metal-coordinating functional groups (histidine) on a protein's surface. In this model study, target ''protein analogs'' were constructed by linking two imidazoles via organic spacers of varying lengths. By computer modeling the individual targets and receptors, bis-Hg2+ receptors were designed to position two metal ions to match the available nitrogen ligands of their target bis-imidazoles. While H-1 NMR studies in DMSO-d(6) show that the receptors can bind 2 equiv of 1-benzylimidazole (K-1 similar to 10(4) M(-1)), a bis-imidazole is bound in a 1:1 complex with association constants as high as 3 x 10(6) M(-1). Bis-metal ion receptors are indeed selective for their target bis-imidazoles in competitive binding experiments, preferring the target over others that are both longer and shorter by similar to 4 Angstrom (maximum selectivity = 11.5). A maximum selectivity of 140 was observed for the competition between a target bis-imidazole and 1-benzylimidazole. Increasing the available coordination sites on the metal ion significantly reduces selectivity, presumably by allowing the receptor to take on multiple bound conformations. Attempts to improve binding selectivity by restricting the receptors' conformational mobility reduced selectivity, primarily by introducing unanticipated unfavorable interactions with the target bis-imidazoles.
• US4163731A
  申请人：——

  公开号：US4163731A

  公开（公告）日：1979-08-07
• US4172858A
  申请人：——

  公开号：US4172858A

  公开（公告）日：1979-10-30
• US4248976A
  申请人：——

  公开号：US4248976A

  公开（公告）日：1981-02-03
• US5229481A
  申请人：——

  公开号：US5229481A

  公开（公告）日：1993-07-20