4-tert-Butyl-benzenediazonium; chloride | 36600-68-7

• 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-tert-Butyl-benzenediazonium; chloride
• CAS: 36600-68-7
• 化学式: C₁₀H₁₃N₂*Cl
• 分子量: 196.68
• InChiKey: BTSPISUXKLVTKD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  28.15
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-tert-Butyl-benzenediazonium; chloride 在 吡啶 作用下， 生成 1-(4-tert-butyl-phenyl)-3-acetyl-3-methyltriazene
  参考文献：
  名称：

  Substituent effects on13C and15N chemical shifts in triazenes studied by principal components multivariate data analysis

  摘要：

  AbstractPrincipal components analysis was applied to the 13C and 15N chemical shift data on a series of fifteen 1‐(para‐substituted‐phenyl)‐3‐acetyl‐3‐methyltriazenes. It was found that the halogen‐substituted triazenes formed a class, based on substituent effects, which was different from the remaining eleven triazenes. A one‐component model described the halogen class, whereas a two‐component model was necessary for a description of the second class. In the second class, substituents tended to cluster to form groups depending on their electronic character.

  DOI：

  10.1002/omr.1270210710
• 作为产物：
  描述：

  4-叔丁基苯胺 在 sodium nitrite 作用下， 以 盐酸 为溶剂， 生成 4-tert-Butyl-benzenediazonium; chloride
  参考文献：
  名称：

  Substituent effects on13C and15N chemical shifts in triazenes studied by principal components multivariate data analysis

  摘要：

  AbstractPrincipal components analysis was applied to the 13C and 15N chemical shift data on a series of fifteen 1‐(para‐substituted‐phenyl)‐3‐acetyl‐3‐methyltriazenes. It was found that the halogen‐substituted triazenes formed a class, based on substituent effects, which was different from the remaining eleven triazenes. A one‐component model described the halogen class, whereas a two‐component model was necessary for a description of the second class. In the second class, substituents tended to cluster to form groups depending on their electronic character.

  DOI：

  10.1002/omr.1270210710

文献信息

• 789. New intermediates and dyes. Part VII. The influence of the t-butyl group on the properties of azoic dyes
  作者：V. Vassiliadis、Arnold T. Peters

  DOI：10.1039/jr9590003928

  日期：——
• Design, synthesis and biological activity of novel non-peptidyl endothelin converting enzyme inhibitors, 1-phenyl-tetrazole-formazan analogues
  作者：Kazuto Yamazaki、Hirohiko Hasegawa、Kayo Umekawa、Yasuyuki Ueki、Naohito Ohashi、Masaharu Kanaoka

  DOI：10.1016/s0960-894x(02)00149-x

  日期：2002.5

  A novel non-peptidyl endothelin converting enzyme inhibitor was obtained through a pharmacophore analysis of known inhibitors and three-dimensional structure database search. Analogues of the new inhibitor were designed using the structure-activity relationship of known inhibitors and synthesized. In anesthetized rats, intraperitoneal administration of the analogues suppressed the pressor responses induced by big endothelin-1. (C) 2002 Elsevier Science Ltd. All rights reserved.