1-(N-acetopyridinine)-2-aminoethane | 804500-36-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(N-acetopyridinine)-2-aminoethane
• 英文别名: N1-(1-pyridin-2-yl-ethylidene)ethane-1,2-diamine；1-amino-4-(2-pyridyl)-3-azapent-3-ene；N'-(1-pyridin-2-ylethylidene)ethane-1,2-diamine；N-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine；2-(1-pyridin-2-ylethylideneamino)ethanamine
• CAS: 804500-36-5
• 化学式: C₉H₁₃N₃
• 分子量: 163.222
• InChiKey: UZCSVCGCWRZYOO-UHFFFAOYSA-N

物化性质

• 沸点：
  263.8±36.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 1-(N-acetopyridinine)-2-aminoethane 以 甲醇 、 水 为溶剂， 以92%的产率得到nickel(II) bis(1-amino-4-(2-pyridyl)-3-azapent-3-ene) perchlorate
  参考文献：
  名称：

  包含吡啶基、亚胺和氨基螯合配体的镍 (II) 配合物：合成、结构、异构体偏好、结构转变和对镍 (III) 衍生物的反应性

  摘要：

  2-乙酰吡啶与乙二胺以 1:1 或 2:1 的摩尔比轻松缩合，得到两个不同齿数的中性配体：1-氨基-4-(2-吡啶基)-3-氮杂戊-3-烯（三齿，L1 ) 和 2,7-双(2-吡啶基)-3,6-二氮杂辛基-2,6-二烯（四齿，L3）。用 2-吡啶甲醛代替酮得到一组相似的缩合物（L2 和 L4）。三齿单席夫碱（L1 和 L2）与 Ni(ClO4)2·6H2O 顺利反应，提供具有 NiN6 配位球的棕色双螯合物（1a 和 1b），而四齿双席夫碱（L3 和 L4） ) 形成绿色伪八面体配合物 (2a 和 2b)，其中 NiIII 存在于 N4O2 配位环境中。从 1a 和 2a 的代表性 X 射线结构中可以明显看出这两种复合物的异构体特异性。cis-trans-cis 和 cis-cis-trans 异构体分别专门用于 1 和 2。2a 的晶体结构揭示了 O−H···O 氢键相互作用，以无限链状阵列组装交替的阳离子和阴离子。MeCN

  DOI：

  10.1002/ejic.200300865
• 作为产物：
  描述：

  2-乙酰基吡啶 、 乙二胺 以 alcohol 为溶剂， 生成 1-(N-acetopyridinine)-2-aminoethane
  参考文献：
  名称：

  铁的主要自旋态的可访问性和选择性稳定由吡啶基与酚醛酮亚胺：所述的调制6阿1 ↔ 2 Ť 2的[FEN的基态转变4 Ò 2 ] +发色团

  摘要：

  分别由2-乙酰基吡啶（ap）和2'-羟基苯乙酮（Hhap）与N -R-乙二胺（RNHCH 2 CH 2 NH 2，Ren； R = H，Me或Et），并根据配体供体组的性质与铁（II）或铁（III）原位络合，生成六配位铁化合物[Fe II（apRen）2 ] X 2（R = H，Me; X – = ClO 4 –，BPh 4 –，PF 6 –）和[Fe III（hapRen）2 ] X（R = Me，Et; X – = ClO 4 –，BPh 4 –）。[Fe II（apRen）2 ]（ClO 4）2（R = H，Me）的单晶X射线分析显示，亚铁离子具有Fe II -N键距（1.896-2.041 ）指向1名阿1（d π 6）基态; 磁化率测量和Mössbauer光谱证实了这种自旋态的存在。相反，酚盐配合物[Fe III（hapMen）2在100 K下测定的] ClO 4证明了铁态的稳定；坐标键在金属中心的压缩与所述一致2

  DOI：

  10.1021/ic300732r

文献信息

• Cyanide bridged 2-D homometallic mixed-valence copper coordination polymer: synthesis, crystal architecture, Hirshfeld surface analysis and magnetic behavior
  作者：Habibar Chowdhury、Corrado Rizzoli、Chandan Adhikary

  DOI：10.1080/00958972.2020.1861445

  日期：2021.3.19

  A 2-D homometallic mixed-valence copper coordination polymer, catena-poly[[tetrakis(μ-cyanido)-(1-(N-acetopyridinine)-2-aminoethane)}-tri-copper] methanol monosolvate], [Cu3(L)(CN)4]·CH3OH}n (1) ...

  二维同金属混合价铜配位聚合物，catena-poly[[tetrakis(μ-cyanido)-(1-(N-acetopyridinine)-2-aminoethane)}-tri-copper]甲醇单溶剂化物]，[ Cu3(L)(CN)4]·CH3OH}n (1) ...
• Synthesis and Crystal Structures of Bromido-Coordinated Zinc(II) and Copper(II) Complexes with Schiff Bases
  作者：Jian-Ying Miao

  DOI：10.1080/15533174.2011.568462

  日期：2011.7.1

  Two new mononuclear bromido-coordinated complexes, [ZnBr2L1] (1) and [CuBr2L2] (2), where L-1 = 2-[2-(1-pyridin-2-ylethylideneamino)ethylamino] ethanol and L-2 = N'-(1-pyridin-2-ylethylidene) ethane-1,2-diamine, have been synthesized and structurally characterized by IR spectra and X-ray crystallography. Complex (1) crystallizes in the orthorhombic space group Pbca with unit cell dimensions a = 15.146(3) angstrom, b = 11.400(2) angstrom, c = 17.350(3) angstrom, V = 2995.7(9) angstrom(3), Z = 8, R-1 = 0.0469, and wR(2) = 0.0909. Complex (2) crystallizes in the monoclinic space group P2(1)/n with unit cell dimensions a = 9.041(1) angstrom, b = 14.994(2) angstrom, c = 9.202(1) angstrom, beta = 99.352(3)degrees, V = 1230.8(3) angstrom(3), Z = 4, R-1 = 0.0290, and wR(2) = 0.0580. The Zn atom in (1) is five-coordinate in a trigonal-bipyramidal geometry, and the Cu atom in (2) is five-coordinate in a square pyramidal geometry.
• Facile synthesis of Cu(II) complexes of monocondensed N,N,N donor Schiff base ligands: Crystal structure, spectroscopic and magnetic properties
  作者：Shouvik Chattopadhyay、Mau Sinha Ray、Michael G.B. Drew、Albert Figuerola、Carmen Diaz、Ashutosh Ghosh

  DOI：10.1016/j.poly.2006.01.024

  日期：2006.7

  Four new copper(II) complexes, [((CuLN3)-N-1)(2)](ClO4)(2) (1), [(CuL2 N-3)(2)](ClO4)(2) (2), [CuL3(N-3)ClO4)](n) (3) and [CuL4(mu-1,1-N-3)(mu-1,3-N-3)(ClO4)](n) (4) where L-1 = N-1-pyridin-2-yl-methylene-propane-1,3-diamine, L-2 = N-1-(1-pyridin-2-yl-ethylidene)propane-1,3-diamine, L-3 =N-1-(1-pyridin-2-yl-ethylidene)ethane-1,2-diamine and L-4=N-1-(1-pyridin-2-yl-ethylidene)propane-1,2-diamine are four tridentate N,N,N donor Schiff base ligands, have been derived and structurally characterized by X-ray crystallography. Compounds 1 and 2 consist of double basal-apical end-on (EO) azide bridged dinuclear Cu-II complexes with square-pyramidal geometry. In complex 3 the square planar mononuclear [CuL3 (N-3)] units are linked by weakly coordinated perchlorate ions in the axial positions of Cu-II to form a one-dimensional chain. Two such chains are connected by hydrogen bonds involving perchlorate ions and azide groups. Compound 4 consists of 1-D chains in which the Cu-II ions with a square-pyramidal geometry are alternately bridged by single EO and end-to-end (EE) azido ligands, both adopting a basal-apical disposition. Variable temperature (300-2 K) magnetic susceptibility measurements and magnetization measurements at 2 K have been performed. The results reveal that complexes 1 and 2 are antiferromagnetically coupled through azido bridges (J= -12.18 +/- 0.09 and -4.43 +/- 0.1 cm(-1) for 1 and 2, respectively). Complex 3 shows two different magnetic interactions through the two kinds of hydrogen bonds; one is antiferromagnetic (J(1) = - 9.69 +/- 0.03 cm(-1)) and the other is ferromagnetic (J(2) = 1.00 +/- 0.01 cm(-1)). From a magnetic point of view complex 4 is a ferromagnetic dinuclear complex (J= 1.91 +/- 0.01 cm(-1)) coupled through the EO bridge only. The coupling through the EE bridge is practically nil as the N(azido)-Cu-II (axial) distance (2.643 angstrom) is too long. (C) 2006 Elsevier Ltd. All rights reserved.