1,8-bis(salicylaldimine)-3,6-dithiaundecane | 21057-06-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,8-bis(salicylaldimine)-3,6-dithiaundecane
• 英文别名: 1,8-bis(salicylideneimino)-3,6-dithiaoctane；1,8-bis(salicylaldimine)-3,6-diithiaoctane；1,8-bis(salicylaldimine)-3,6-dithiaoctane；1,2-bis-(2-salicylidenamino-ethylsulfanyl)-ethane；1,2-Bis-(2-salicylidenamino-aethylmercapto)-aethan；2-[2-[2-[2-[(2-Hydroxyphenyl)methylideneamino]ethylsulfanyl]ethylsulfanyl]ethyliminomethyl]phenol
• CAS: 21057-06-7
• 化学式: C₂₀H₂₄N₂O₂S₂
• 分子量: 388.555
• InChiKey: HBAWYVGIKDXZDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,8-bis(salicylaldimine)-3,6-dithiaundecane 、 iron(II) acetate 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Priggemeyer; Eggers-Borkenstein; Ahlers, Inorganic Chemistry, 1995, vol. 34, # 6, p. 1445 - 1454

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-bis-(2-amino-ethylsulfanyl)-ethane; dihydrochloride 、 水杨醛 在 乙醇 、 sodium acetate 作用下， 生成 1,8-bis(salicylaldimine)-3,6-dithiaundecane
  参考文献：
  名称：

  A SEXADENTATE CHELATE COMPOUND

  摘要：

  DOI：

  10.1021/ja01203a514

文献信息

• The synthesis of iron(III) and cobalt (III) complexes of facultative hexadentate ligands. The X-ray crystal structure of [Fe{(NC4H3-2-CHNHH2CH2NHCH2)2}]PF6
  作者：Anne S. Rothin、Hilary J. Banbery、Frank J. Berry、Thomas A. Hamor、Christopher J. Jones、Jon A. McCleverty

  DOI：10.1016/s0277-5387(00)80747-0

  日期：1989.1

  2-hydroxybenzophenone or pyrrole-2-aldehyde, and from 3-methoxysalicylaldehyde with tris(2-aminoethyl)amine. Their ability to encapsulate cobalt(III) and iron(III) in complexes of 1 : 1 ligand—metal stoichiometry is reduced by the incorporation of sulphur donor atoms, or by the replacement of the terminal six-membered chelate rings of the salicylaldehyde derivatives by a five-membered ring in the pyrrole—aldehyde

  摘要由1,8-二氨基-3,6-二氮辛烷或1,8-二氨基-3,6-二硫辛烷与1-羟基-3-甲氧基-二苯甲酮，2-羟基苯乙酮缩合制备了一系列六齿配体。 ，2-羟基二苯甲酮或吡咯-2-醛，以及3-甲氧基水杨醛与三（2-氨基乙基）胺的结合。通过掺入硫供体原子或通过用水杨醛衍生物取代末端的六元螯合环，降低了它们将钴（III）和铁（III）以1：1配位体-金属化学计量的络合物包封的能力。吡咯-醛衍生物中的五元环。报道了铁络合物的莫斯鲍尔光谱数据，并且[Fe （NC4H3-2-CH = NCH2CH2NHCH2）2}] PF6的分子结构已通过单晶X射线衍射技术确定。
• Cobalt and nickel complexes of open-chain thioether ligands terminated by salicylaldimine functionality^*This article has a companion paper in this issue (doi: 10.1139/v11-083).
  作者：C. Robert Lucas、John M.D. Byrne、Julie L. Collins、Louise N. Dawe、David O. Miller

  DOI：10.1139/v11-081

  日期：2011.10

  Syntheses of 1,11-bis(salicylaldimine)-3,6,9-trithiaundecane (H₂L1), 1,11-bis(salicylaldimine)-6-oxa-3,9-dithiaundecane (H₂L2), and 1,8-bis(salicylaldimine)-3,6-dithiaundecane (H₂L3), their nickel complexes [Ni(L1)]·H₂O (I), [Ni(HL2)][OAc] (II), [Ni(L3)·HOAc]₂[Ni(L3)·2HOAc]·3H₂O (III), [Ni(HL1-sal)]Cl₂·H₂O (IV), [Ni(HL2-sal)]Cl₂·CH₃OH (V), [Ni(L3-sal)Cl]·H₂O (VI), [Ni(HL1-sal)]Br₂}₂[Ni(L1-sal)]Br}·H₂O (VII), [Ni(HL2-sal)]Br₂}₂[Ni(L2-sal)]Br}·2CH₃OH (VIII), [Ni(HL3-sal)Br]Br}[Ni(L3-sal)Br]·2CH₃OH (IX), [Ni(HL3-sal)Br]Br·CH₃OH (X), [Ni(HL3)Br]·2H₂O (XI), [Ni(HL1)]₂[BF₄]₂·5H₂O (XII), [Ni(HL2)]₂[BF₄]₂·3H₂O (XIII), [Ni(HL3)]₂[BF₄]₂·CH₃CN (XIV), and [Ni(HL3)]₂[BF₄]₂·3H₂O (XV) and their cobalt complexes [Co(L1-sal)][BF₄]₂ (XVI), [Co(L2)][OAc]·3H₂O (XVII), [Co(L3)][OAc]·3H₂O (XVIII), [Co(L3)][BF₄] (XIX), and [Co(L3-sal)(CH₃OH)][BF₄]₂·CH₃OH (XX) are reported. Single crystal X-ray structural studies for III, XIV, XVI, and XIX are described. Cyclic voltammograms of the ligands and of I, II, III, VII, VIII, X, XIV, and XIX are discussed. Electronic spectra of the ligands and complexes are discussed.

  本文报道了1,11-双(水杨醛亚胺)-3,6,9-三硫杂十一烷(H2L1)、1,11-双(水杨醛亚胺)-6-氧-3,9-二硫杂十一烷(H2L2)和1,8-双(水杨醛亚胺)-3,6-二硫杂十一烷(H2L3)及其镍配合物[Ni(L1)]·H2O(I)、[Ni(HL2)][OAc](II)、[Ni(L3)·HOAc]2[Ni(L3)·2HOAc]·3 (III)、[Ni(HL1-sal)]CL2· (IV)、[Ni(HL2-sal)]CL2·CH3OH(V)、[Ni(L3-sal)Cl]· (VI)、[Ni(HL1-sal)]Br2}2[Ni(L1-sal)]Br}· (VII)、[Ni(HL2-sal)]Br2}2[Ni(L2-sal)]Br}·2CH3OH(VIII)、[Ni(HL3-sal)Br]Br}[Ni(L3-sal)Br]·2CH3OH(IX)、[Ni(HL3-sal)Br]Br·CH3OH(X)、[Ni(HL3)Br]·2 (XI)、[Ni(HL1)]2[BF4]2·5 (XII)、[Ni(HL2)]2[BF4]2·3 (XIII)、[Ni(HL3)]2[BF4]2·CH3CN(XIV)和[Ni(HL3)]2[BF4]2·3 (XV)以及其钴配合物[Co(L1-sal)][BF4]2(XVI)、[Co(L2)][OAc]·3 (XVII)、[Co(L3)][OAc]·3 (XVIII)、[Co(L3)][BF4](XIX)和[Co(L3-sal)(CH3OH)][BF4]2·CH3OH(XX)。描述了III、XIV、XVI和XIX的单晶X射线结构研究。讨论了配体和I、II、III、VII、VIII、X、XIV和XIX的循环伏安图谱。讨论了配体和配合物的电子光谱。
• Copper(II) complexes of open-chain thioether ligands terminated by salicylaldimine functionality^*This article has a companion paper in this issue (doi: 10.1139/v11-081).
  作者：C. Robert Lucas、John M.D. Byrne、Julie L. Collins、Louise N. Dawe、David O. Miller

  DOI：10.1139/v11-083

  日期：2011.10

  From 1,11-bis(salicylaldimine)-3,6,9-trithiaundecane (H₂L1), 1,11-bis(salicylaldimine)-6-oxa-3,9-dithiaundecane (H₂L2), and 1,8-bis(salicylaldimine)-3,6-dithiaundecane (H₂L3), syntheses for [Cu(L1)]₂ (I), Cu(L2)·CH₃OH (II), Cu(L3) (III), [Cu(HL3)][CH₃COO] (IV), [Cu(HL1-sal)]Cl₂ (V), Cu₄(L1)₂Br₄(H₂O)₂·2H₂O (VI) and Cu₂(L2)Br₂·xH₂O (VII) are described. Single crystal X-ray structural studies for I, III and VII are reported. Variable temperature magnetic susceptibility studies of I, VI and VII are discussed. The examination of VII represents the first magneto-structural study of a binuclear copper(II) species with NSO₃Br coordination spheres. This study examines perturbation by one or more of the donor atoms so that none of the known magnetostructural models predicts the copper–copper coupling.

  通过1,11-双(水杨醛亚胺)-3,6,9-三硫杂十一烷(H2L1)，1,11-双(水杨醛亚胺)-6-氧杂-3,9-二硫杂十一烷(H2L2)和1,8-双(水杨醛亚胺)-3,6-二硫杂十一烷(H2L3)，合成了[Cu(L1)]2(I)，Cu(L2)·CH3OH(II)，Cu(L3)(III)，[Cu(HL3)][CH3COO](IV)，[Cu(HL1-sal)]CL2(V)，Cu4(L1)2Br4(H2O)2·2 (VI)和Cu2(L2)Br2·x (VII)。报道了I、III和VII的单晶X射线结构研究。讨论了I、VI和VII的可变温度磁化率研究。VII的研究代表了具有NSO3Br配位球的双核铜(II)物种的第一次磁结构研究。该研究考察了一个或多个给体原子的扰动，使得没有已知的磁结构模型可以预测铜-铜耦合。
• Lanthanide complexes of a linear heptadentate ligand. Potential contrast agents for magnetic resonance imaging
  作者：Preet P.K. Claire、Christopher J. Jones、Kwok W. Chiu、John R. Thornback、Mary McPartlin

  DOI：10.1016/s0277-5387(00)83207-6

  日期：1992.1

  The complexes [Ln2-OC6H4-CH = NCH2(CH2NHCH2)3-CH2N = CHC6H4O-2'}(H2O)]Cl.nH2O (Ln = Lu, Gd) have been synthesized. The X-ray crystal structure of the lutetium complex reveals an eight-coordinate lutetium ion bound to two oxygens and five nitrogen atoms in the ligands and to a water molecule. The relaxivity of the gadolinium complex is comparable to that of [Gd(DTPA)(H2O)]2-.
• Sexadentate Chelate Compounds. I
  作者：Francis P. J. Dwyer、Francis Lions

  DOI：10.1021/ja01160a033

  日期：1950.4