N,N',N''-trimethyl-1,3,5-cis,cis-triaminocyclohexane | 50636-12-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N',N''-trimethyl-1,3,5-cis,cis-triaminocyclohexane
• 英文别名: cis.cis-1.3.5-Tris(methylamino)cyclohexan；cis-cyclohexane tris(methylamine)；cis,cis-1,3,5-tris(methylamino)cyclohexane；N,N',N''-trimethyl-cyclohexane-1r,3c,5c-triamine
• CAS: 50636-12-9
• 化学式: C₉H₂₁N₃
• 分子量: 171.286
• InChiKey: LDMRLILMFSHGII-AYMMMOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.07
• 重原子数：
  12.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.09
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N,N',N''-trimethyl-1,3,5-cis,cis-triaminocyclohexane 在 sulfur 、 三乙胺 、 三氯化磷 作用下， 以 氯仿 为溶剂， 生成 2,8,9-trimethyl-2,8,9-triaza-1-phospha-adamantane 1-sulfide
  参考文献：
  名称：

  Stetter,H.; Bremen,J., Chemische Berichte, 1973, vol. 106, p. 2523 - 2529

  摘要：

  DOI：

文献信息

• Zinc complexes of cyclohexane triamine ligands
  作者：U. Brand、H. Vahrenkamp

  DOI：10.1016/s0020-1693(00)92411-3

  日期：1992.8

  Abstract The synthesis and characterization of zinc complexes of the cis -cyclohexane triamine derived ligands C 6 H 9 (NH 2 ) 3 (L 1 ), C 6 H 9 (NHMe) 3 (L 2 ) and C 6 H 9 (NCHPh) 3 (L 3 ) are described. L 1 forms 1:1 complexes with ZnCl 2 , ZnBr 2 , ZnI 2 and Zn(OAc) 2 , and 2:1 complexes with Zn(ClO 4 ) 2 and Zn(CF 3 SO 3 ) 2 . For L 2 , no 2:1 complexes with zinc salts could be obtained, but 1:1

  摘要顺式-环己烷三胺配体C 6 H 9（NH 2）3（L 1），C 6 H 9（NHMe）3（L 2）和C 6 H 9（N）锌配合物的合成与表征描述了CHPh）3（L 3）。L 1与ZnCl 2，ZnBr 2，ZnI 2和Zn（OAc）2形成1：1配合物，与Zn（ClO 4）2和Zn（CF 3 SO 3）2形成2：1配合物。对于L 2，没有获得与锌盐的2∶1络合物，但是获得了与ZnCl 2和Zn（NO 3）2的1∶1络合物。L 3在锌盐的存在下水解。物理性质和光谱表明，ZnHal 2和Zn（NO 3）2的配合物包含四面体的LZnX阳离子和游离的X阴离子，而L 1 Zn（OAc）2·H 2 O似乎由包含单齿乙酸盐配体的八面体分子单元组成。根据NMR，2：1配合物（L 1）2 Zn（CF 3 SO 3）2和（L 1）2 Zn（ClO 4）2是八面体配位的，而（L 1 H）2 Zn（ClO 4）4包含四面体锌，只有二齿L
• Copper(II) Complexes of Novel N-Alkylated Derivatives of <i>cis,cis</i>-1,3,5-Triaminocyclohexane. 1. Preparation and Structure
  作者：Gyungse Park、Junlong Shao、Frances H. Lu、Robin D. Rogers、N. Dennis Chasteen、Martin W. Brechbiel、Roy P. Planalp

  DOI：10.1021/ic000829e

  日期：2001.8.1

  Novel N,N',N' '-trialkylated derivatives of cis,cis-1,3,5-triaminocyclohexane (tach), designated tach-R(3), were prepared through alkylation of N-protected tach with subsequent acid deprotection, to afford N-methyl, N-ethyl, and N-n-propyl derivatives as their trihydrobromide salts. The tach-neopentyl(3) and tach-furan(3) derivatives were prepared by formation of the imine from tach and pivaldehyde

  新型N，N'，N'-三烷基化的顺式，顺式-1,3,5-三氨基环己烷（tach）衍生物，命名为tach-R（3），是通过N保护的tach进行烷基化并随后进行酸脱保护而制备的，得到N-甲基，N-乙基和Nn-丙基衍生物的三氢溴酸盐。tach-neopentyl（3）和tach-呋喃（3）衍生物的制备方法是，分别由tach和戊醛或呋喃-2-羧醛形成亚胺，然后还原亚胺。由CuCl制备配合物[Cu（tach-R（3））Cl（2）]（R = Me，Et，n-Pr，CH（2）-2-噻吩基和CH（2）-2-呋喃基） （2）在MeOH或MeOH-Et（2）O溶剂中。[Cu（tach-Et（3））Br（0.8）Cl（1.2）]的晶体学表征（Pnma，a = 8.2265（1）A，b = 12.5313（1）A，c = 15.3587（3）A，Z = 4）揭示了一个基于正方形的金字塔形CuN（3）X（2）协调球，
• Evaluation of copper chelation agents as anti-angiogenic therapy
  作者：K Camphausen

  DOI：10.1016/s0968-0896(03)00401-2

  日期：2003.9.15

  The design, synthesis and evaluation of N,N',N"-tris(2-pyridylmethyl)-cis,cis-1,3,5,-triaminocyclohexane (tachpyr, 1) derivatives as novel anti-angiogenic agents were performed in an in vitro endothelial cell proliferation assay to assess their cytotoxicity and selectivity. The selective nature of the anti-angiogenic agents for human umbilical vein endothelial cells (HUvec) was compared to a normal fibroblast cell line and a human Glioma cell line to evaluate these compounds. N,N',N"-tris(2-mercaptoethyl)-cis,cis-1,3,5-triaminocyclohexane trihydrochloride (3b) was superior to tachpyr in terms of selectivity of its inhibitory activity toward the proliferation of Huvec compared to the fibroblast and human Glioma cell lines. (C) 2003 Elsevier Ltd. All rights reserved.
• Spectroscopic and pH-metric studies on the complexation of a novel tripodal amine-phenol ligand towards Al(III), Ga(III) and In(III)
  作者：Suban K. Sahoo、Rati kanta Bera、B.K. Kanungo、Minati Baral

  DOI：10.1016/j.saa.2011.12.049

  日期：2012.4

  The aqueous coordination chemistry of a newly synthesized tripodal amine-phenol ligand, cis,cis-1,3,5-tris(2-hydroxybenzyl)aminomethyl}cyclohexane (THAC) towards H+, Al3+, Ga3+ and In3+ ions have been investigated in aqueous medium of 0.1 M KCI ionic strength and 25 +/- 1 degrees C by potentiometric and spectrophotometric methods. Three protonation constants assigned to phenolic hydroxyl groups were determined and were used as input data to evaluate the formation constants of the metal complexes. The ligand formed various monomeric metal complex species MLH3, MLH2, MLH, ML and MLH-1 with Ga(III) and In(III); MLH3, ML and MLH-1 with Al(III). The calculated stability constants followed the order Ga(III)> In(III)>Al(III), and their pM values at physiological condition were found to be higher than the corresponding transferrin complexes. (C) 2012 Elsevier B.V. All rights reserved.