N-(o-chlorobenzyl)iminodiacetic acid | 1267056-70-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(o-chlorobenzyl)iminodiacetic acid
• 英文别名: 2-[Carboxymethyl-[(2-chlorophenyl)methyl]amino]acetic acid
• CAS: 1267056-70-1
• 化学式: C₁₁H₁₂ClNO₄
• 分子量: 257.674
• InChiKey: DKPGPSDUBNHWPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(o-chlorobenzyl)iminodiacetic acid 、 nickel(II) acetate tetrahydrate 以 水 为溶剂， 以84%的产率得到[nickel(II)(N-(o-chlorobenzyl)iminodiacetate)(H2O)3]
  参考文献：
  名称：

  Nickel(II) complexes with N-aralkyliminodiacetic acids: Preparation, spectroscopic, structural and thermal characterization

  摘要：

  The reactions of N-aralkyl derivatives of iminodiacetic acid (H(2)Bnida, H(2)Peida, H(2)Ppida, o-H(2)Cbida, Bn = benzyl, Pe = 2-phenylethyl, Pp = 3-phenylprop-1-yl, o-Cb = o-chlorobenzyl) with nickel(II) chloride hexahydrate or nickel(II) acetate tetrahydrate in aqueous solutions were studied. Five new nickel(II) complexes [Ni(Bnida)(H2O)(3)]center dot H2O (1), [Ni(Peida)(H2O)(3)] (2), [Ni(Ppida)(H2O)(3)]center dot H2O (3a), [Ni(Ppida)(H2O)(3)] (3b) and [ Ni(o-Cbida)(H2O)(3)] (4) were prepared and characterized by infrared spectroscopy and thermal analysis (TGA-DTA). The crystal structures of 1 and 3b were determined by single-crystal X-ray structural analysis. The octahedral coordination environment around the nickel(II) ion in 1 and 3b consists of an O,N,O'-tridentate N-aralkyliminodiacetate ion and three water molecules arranged in a fac-position. The molecules in the crystal structures of 1 and 3b are connected into a complicated hydrogen-bonded 2D network, dominated by the O-H center dot center dot center dot O hydrogen bonds. These 2D networks are in turn assembled into a 3D architecture only by weak van der Waals interactions. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.02.017
• 作为产物：
  描述：

  氯乙酸 、 邻氯苯甲胺 在 sodium hydroxide 、 盐酸 作用下， 以 水 、 乙醇 为溶剂， 以43%的产率得到N-(o-chlorobenzyl)iminodiacetic acid
  参考文献：
  名称：

  Nickel(II) complexes with N-aralkyliminodiacetic acids: Preparation, spectroscopic, structural and thermal characterization

  摘要：

  The reactions of N-aralkyl derivatives of iminodiacetic acid (H(2)Bnida, H(2)Peida, H(2)Ppida, o-H(2)Cbida, Bn = benzyl, Pe = 2-phenylethyl, Pp = 3-phenylprop-1-yl, o-Cb = o-chlorobenzyl) with nickel(II) chloride hexahydrate or nickel(II) acetate tetrahydrate in aqueous solutions were studied. Five new nickel(II) complexes [Ni(Bnida)(H2O)(3)]center dot H2O (1), [Ni(Peida)(H2O)(3)] (2), [Ni(Ppida)(H2O)(3)]center dot H2O (3a), [Ni(Ppida)(H2O)(3)] (3b) and [ Ni(o-Cbida)(H2O)(3)] (4) were prepared and characterized by infrared spectroscopy and thermal analysis (TGA-DTA). The crystal structures of 1 and 3b were determined by single-crystal X-ray structural analysis. The octahedral coordination environment around the nickel(II) ion in 1 and 3b consists of an O,N,O'-tridentate N-aralkyliminodiacetate ion and three water molecules arranged in a fac-position. The molecules in the crystal structures of 1 and 3b are connected into a complicated hydrogen-bonded 2D network, dominated by the O-H center dot center dot center dot O hydrogen bonds. These 2D networks are in turn assembled into a 3D architecture only by weak van der Waals interactions. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.02.017

文献信息

• Preparation and characterization of palladium(II) complexes with N-arylalkyliminodiacetic acids. Catalytic activity of complexes in methoxycarbonylation of iodobenzene
  作者：Neven Smrečki、Boris-Marko Kukovec、Jarosław Jaźwiński、Ye Liu、Jing Zhang、Ana-Matea Mikecin、Zora Popović

  DOI：10.1016/j.jorganchem.2013.10.010

  日期：2014.6

  tetrachloropalladate(II) in aqueous solutions were investigated. Five new palladium(II) complexes [Pd(HBnida)2]·2H2O (1a), [Pd(HBnida)2] (1b), [Pd(HPeida)2] (2), [Pd(HPpida)2] (3) and [Pd(o-HCbida)2] (4) were prepared and characterized by infrared spectroscopy, 1H, 13C and 15N NMR spectroscopy and thermal analysis (TGA/DTA). The crystal structure of 1a was determined by single-crystal X-ray structural analysis. The

  的反应Ñ亚氨基二乙酸的芳基烷基衍生物（H 2 Bnida，H 2佩达，H 2 Ppida，ö -H 2 BN =苄基，PE = 2-苯基乙基; PP = 3-苯基丙-1-基; Cbida ö用四氯钯酸钠（II）在水溶液中研究了-Cb = 邻氯苄基）。五个新的钯（II）配合物[Pd（HBnida）2 ]·2H 2 O（1a），[Pd（HBnida）2 ]（1b），[Pd（HPeida）2 ]（2），[Pd（HPpida）2 ]（3）和[Pd（o-HCbida）2 ]（4）的制备并通过红外光谱，1 H，13 C和15 N NMR光谱和热分析（TGA / DTA）进行表征。的晶体结构1a中，通过单晶X射线结构分析确定。1a分子中的钯（II）离子与两个N，O-齿状N-苄基-氢亚氨基二乙酸根离子呈正方形平面配位。复合物1a是反式-异构体。在三种人类细胞系上测试了复合物的抗肿瘤特性。这些化合物没有明显抑制结肠（HCT
• Nickel(II) complexes with N-aralkyliminodiacetic acids: Preparation, spectroscopic, structural and thermal characterization
  作者：Neven Smrečki、Boris-Marko Kukovec、Marijana Đaković、Zora Popović

  DOI：10.1016/j.ica.2013.02.017

  日期：2013.5

  The reactions of N-aralkyl derivatives of iminodiacetic acid (H(2)Bnida, H(2)Peida, H(2)Ppida, o-H(2)Cbida, Bn = benzyl, Pe = 2-phenylethyl, Pp = 3-phenylprop-1-yl, o-Cb = o-chlorobenzyl) with nickel(II) chloride hexahydrate or nickel(II) acetate tetrahydrate in aqueous solutions were studied. Five new nickel(II) complexes [Ni(Bnida)(H2O)(3)]center dot H2O (1), [Ni(Peida)(H2O)(3)] (2), [Ni(Ppida)(H2O)(3)]center dot H2O (3a), [Ni(Ppida)(H2O)(3)] (3b) and [ Ni(o-Cbida)(H2O)(3)] (4) were prepared and characterized by infrared spectroscopy and thermal analysis (TGA-DTA). The crystal structures of 1 and 3b were determined by single-crystal X-ray structural analysis. The octahedral coordination environment around the nickel(II) ion in 1 and 3b consists of an O,N,O'-tridentate N-aralkyliminodiacetate ion and three water molecules arranged in a fac-position. The molecules in the crystal structures of 1 and 3b are connected into a complicated hydrogen-bonded 2D network, dominated by the O-H center dot center dot center dot O hydrogen bonds. These 2D networks are in turn assembled into a 3D architecture only by weak van der Waals interactions. (C) 2013 Elsevier B. V. All rights reserved.