2,6-di(1,2,4-triazol-1-yl-methyl)-4-t-butylphenol | 894073-27-9

• 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: 2,6-di(1,2,4-triazol-1-yl-methyl)-4-t-butylphenol
• 英文别名: 4-Tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethyl)phenol；4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethyl)phenol
• CAS: 894073-27-9
• 化学式: C₁₆H₂₀N₆O
• 分子量: 312.374
• InChiKey: BVMIWPCNPKQBJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 2,6-di(1,2,4-triazol-1-yl-methyl)-4-t-butylphenol 以 乙醇 、 氯仿 、 水 为溶剂， 以76%的产率得到([Ni(dttp)2Cl2])n
  参考文献：
  名称：

  One-dimensional cationic/neutral chain-like and two-dimensional grid-like coordination polymers based on a bridging ligand: 2,6-Di(1,2,4-triazol-1-yl-methyl)-4-t-butylphenol (dttp)

  摘要：

  Seven new coordination polymers, {[Zn(dttP)(2)(H2O)(2)](ClO4)(2)center dot 2H(2) O center dot 2C(2)H(5)OH}(n) (1), {[Fe(dttp)(H2O)(2)](NO3)(2)center dot 2H(2)O}(n) (2), {{Co(dttp) (H2O)(2)](NO3)(2)center dot 2H(2)O}(n) (3), {[Cu(dttp)(2)(H2O)(2)](ClO4)(2)(dmf)(2)}(n) (4), [Ni(dttP)(2)Cl-2](n) (5), [Co(dttP)(2)Cl-2](n) (6) and [Mn(dttp)(2)Cl-2](n) (7), were obtained by treatment of the corresponding metal salts with a flexible ligand, 2,6-di(1,2,4-triazol-1-yl-methyl)-4-t-butylphenol (dttp). Single crystal X-ray studies reveal that complexes 1-3 have a one-dimensional (I D) cationic chain, whereas complexes 5-7 are isomorphous, presenting a I D neutral chain. The chains in these complexes are all composed of 24-membered M2L2 metallocyclic rings. However, complex 4 possesses a two-dimensional layered structure with rhombohedral grid units of 48-membered M4L4 metallocyclic rings. The ligand behaves as a trans conformation in 1-4, but a cis conformation in 5-7. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.03.024

文献信息

• One-dimensional cationic/neutral chain-like and two-dimensional grid-like coordination polymers based on a bridging ligand: 2,6-Di(1,2,4-triazol-1-yl-methyl)-4-t-butylphenol (dttp)
  作者：Zhaolian Chu、Wei Huang、Haibin Zhu、Shaohua Gou

  DOI：10.1016/j.molstruc.2007.03.024

  日期：2008.2

  Seven new coordination polymers, [Zn(dttP)(2)(H2O)(2)](ClO4)(2)center dot 2H(2) O center dot 2C(2)H(5)OH}(n) (1), [Fe(dttp)(H2O)(2)](NO3)(2)center dot 2H(2)O}(n) (2), Co(dttp) (H2O)(2)](NO3)(2)center dot 2H(2)O}(n) (3), [Cu(dttp)(2)(H2O)(2)](ClO4)(2)(dmf)(2)}(n) (4), [Ni(dttP)(2)Cl-2](n) (5), [Co(dttP)(2)Cl-2](n) (6) and [Mn(dttp)(2)Cl-2](n) (7), were obtained by treatment of the corresponding metal salts with a flexible ligand, 2,6-di(1,2,4-triazol-1-yl-methyl)-4-t-butylphenol (dttp). Single crystal X-ray studies reveal that complexes 1-3 have a one-dimensional (I D) cationic chain, whereas complexes 5-7 are isomorphous, presenting a I D neutral chain. The chains in these complexes are all composed of 24-membered M2L2 metallocyclic rings. However, complex 4 possesses a two-dimensional layered structure with rhombohedral grid units of 48-membered M4L4 metallocyclic rings. The ligand behaves as a trans conformation in 1-4, but a cis conformation in 5-7. (c) 2007 Elsevier B.V. All rights reserved.