2-ethanol | 80039-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-ethanol
• 英文别名: N,N-bis(2-benzimidazolylmethyl)-1-hydroxy-2-aminoethane；N,N-bis(benzimidazole-2-yl-methyl)hydroxyethylamine；N,N-bis(benzimidazole-2yl-methyl)hydroxyethylamine；N-(2-hydroxyethyl)bis(2-benzimidazolylmethyl)amine；bis(benzimidazol-2-ylmethyl)(2-hydroxyethyl)amine；2-(bis(benzimidazol-2-ylmethyl)amino)ethanol；2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol
• CAS: 80039-18-5
• 化学式: C₁₈H₁₉N₅O
• mdl: MFCD00785212
• 分子量: 321.382
• InChiKey: WADLVBMBMXPRRW-UHFFFAOYSA-N

物化性质

• 沸点：
  686.5±45.0 °C(Predicted)
• 密度：
  1.384±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  80.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 2-ethanol 以 甲醇 为溶剂， 反应 120.0h， 以85%的产率得到[Ru(N,N-bis(benzimidazole-2-yl-methyl)hydroxyethylamine-κN,N' ,N''')Cl(triphenylphospine)]Cl
  参考文献：
  名称：

  Ruthenium(II) complexes containing benzimidazolic tripodal ligands

  摘要：

  Complexes [Ru(N,N,N-tris(benzimidazole-2-yl-methyl) a mine-kappa N, N', N''') Cl(PPh3)]Cl (1), [Ru(N, N-bis(benzimidazole-2-yl-methyl) hydroxyethylamine-kappa N, N', N''') Cl(PPh3)]Cl (2) and [Ru(N, N, N-tris(2-aminoethyl) amine-kappa N, N', N''') Cl(PPh3)]Cl (3) were synthesized by reaction of [Ru(PPh3)(3)Cl-2] with N, N, N-tris(benzim idazole-2-yl-methyl) amine (L-1), N, N-bis(benzimidazole-2-yl-methyl) hydroxyethylamine (L-2) and N, N, N-tris(2-aminoethyl) amine (L-3), respectively. The water soluble complex [Ru(N, N, N-tris(benzimidazole- 2-yl-methyl) amine-kappa N, N', N''')Cl(PTA)] Cl (4) was obtained by reaction of 1 with PTA (1,3,5-triaza7-phosphinoadamantane). Complexes were characterized by IR, NMR and elemental analysis. The structure of 1 was determined by single crystal X-ray diffraction analysis. Photo-and electro-chemical behaviours evolution of the complexes were also done. The structural and electronic properties of 1, 2 and 3 were studied by DFT and DFT-TDDFT. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.04.021
• 作为产物：
  描述：

  N-(2-羟乙基)亚氨基二乙酸 、 邻苯二胺 在 盐酸 作用下， 以 水 为溶剂， 反应 24.0h， 以87%的产率得到2-ethanol
  参考文献：
  名称：

  苯并咪唑配体在酸性介质中对碳钢的缓蚀作用：其与 Fe30 表面相互作用的 DFT 研究

  摘要：

  摘要 通过电化学和理论分析了 N,N'-双(苯并咪唑-2-基-甲基)胺(L1)和N,N'-双(苯并咪唑-2-基-甲基)羟乙胺(L2)的缓蚀作用。方法。数据显示配体在铁表面形成吸附层，遵循朗缪尔等温线（Δ G ads ° 为-32.96 kJ mol-1）；值大于-20 kJ mol-1但小于-40 kJ mol-1，属于物理吸附向化学吸附或综合吸附的转化阶段。这与电极表面的分形维数一致，由半圆的阻抗俯角估计，该表面被抑制膜的形成均匀覆盖。此外，配体的电子参数通过 DFT 分析，表明 L1 和 L2 具有缓蚀性能，通过其 HOMO 轨道将其 p 轨道电子密度交给金属 LUMO 以形成吸附层，这已通过配体与 Fe30 的相互作用在理论上得到证实。此外，我们收集了文献中报道的大约 70 种有机化合物的缓蚀数据，并将缓蚀数据与不同的抑制剂作图，表明胺配体是良好的缓蚀剂。

  DOI：

  10.1016/j.molstruc.2016.04.057
• 作为试剂：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 三(2-苯并咪唑甲基)胺 在 2-ethanol 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以93%的产率得到[Ru(N,N,N-tris(benzimidazole-2-yl-methyl)amine-κN,N',N‴)Cl(triphenylphospine)]
  参考文献：
  名称：

  Ruthenium(II) complexes containing benzimidazolic tripodal ligands

  摘要：

  Complexes [Ru(N,N,N-tris(benzimidazole-2-yl-methyl) a mine-kappa N, N', N''') Cl(PPh3)]Cl (1), [Ru(N, N-bis(benzimidazole-2-yl-methyl) hydroxyethylamine-kappa N, N', N''') Cl(PPh3)]Cl (2) and [Ru(N, N, N-tris(2-aminoethyl) amine-kappa N, N', N''') Cl(PPh3)]Cl (3) were synthesized by reaction of [Ru(PPh3)(3)Cl-2] with N, N, N-tris(benzim idazole-2-yl-methyl) amine (L-1), N, N-bis(benzimidazole-2-yl-methyl) hydroxyethylamine (L-2) and N, N, N-tris(2-aminoethyl) amine (L-3), respectively. The water soluble complex [Ru(N, N, N-tris(benzimidazole- 2-yl-methyl) amine-kappa N, N', N''')Cl(PTA)] Cl (4) was obtained by reaction of 1 with PTA (1,3,5-triaza7-phosphinoadamantane). Complexes were characterized by IR, NMR and elemental analysis. The structure of 1 was determined by single crystal X-ray diffraction analysis. Photo-and electro-chemical behaviours evolution of the complexes were also done. The structural and electronic properties of 1, 2 and 3 were studied by DFT and DFT-TDDFT. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.04.021

文献信息

• Effect of ligand donors on the catalytic properties of metal complexes. Copper(II) complexes as catalysts for the oxidation of 3,5-di-tert-butylcatechol
  作者：Mitchell R. Malachowski、Brian Dorsey、Jonathan G. Sackett、Richard S. Kelly、Amy L. Ferko、Ranetta N. Hardin

  DOI：10.1016/0020-1693(96)05026-8

  日期：1996.8

  on the nature of the heterocyclic donor, its basicity, steric effects, reduction potentials, and the type of exogenous donor present. Large rate variations were observed with the most effective catalysts those with pzmhe; the [Cu(pzmhe)N 3 ]BF 4 complex was most active with [Cu(bbmhe)Br]Br and [Cu(bbmhe)Cl]Cl complexes relatively inactive. Electrochemical data showed a non-linear relationship between

  摘要具有四酸盐配体L 1 = N，N-双（3,5-二甲基吡唑-1-基甲基）-1-羟基-2-氨基乙烷（pzmhe）的铜（II）配合物1–5和具有类似化合物的6–10配合物N 3 O苯并咪唑配体L 2 ＝ N，制备了N-双（2-苯并咪唑基甲基）-1-羟基-2-氨基乙烷（bbmhe）。五坐标配合物[Cu（L）X] Y 1.2（其中1，6：X = H 2 O，Y = BF 4; 2，7：X = NO 3，Y = NO 3; 3，8：X ＝ Br，Y ＝ Br； 4，9：X ＝ Cl，Y ＝ Cl； 5，10：X ＝ N 3，Y ＝ BF 4）通过化学分析，吸收和EPR光谱法和循环伏安法表征。数据显示复合物具有方形金字塔形几何形状。所有化合物在乙腈中均显示出化学可逆的单电子氧化还原行为。144–234 mV时，L 1的E°t值比L 2的正值大。3,5-二叔丁基邻苯二酚氧化为3，研究了这些配合物对5-
• Towards a model for the oxidized form of purple acid phosphatase: crystal structure and magnetic properties of a binuclear iron(III) complex containing phosphate ligands
  作者：Lihua Yin、Peng Cheng、Xinkan Yao、Honggen Wang

  DOI：10.1039/a608298j

  日期：——

  A novel binuclear iron(III) complex [FeL[O 2 P(OPh) 2 ]} 2 ][ClO 4 ] 2 was synthesized and characterized by X-ray single-crystal structure analysis, where HL is bis(benzimidazol-2-ylmethyl)(2-hydroxyethyl)amine. The crystals are triclinic, space group P, with a = 11.523(9), b = 11.809(6), c = 13.406(4) Å, α = 68.52(4), β = 71.41(5), γ = 71.85(6)° and Z = 1. The structure shows that the iron(III) ions are bridged by the oxygen atoms of two L ligands and a phosphate ligand is terminally co-ordinated to each iron(III). Magnetic susceptibility measurements in the range 4.2–300 K and subsequent calculations based on an isotropic Heisenberg model suggest antiferromagnetic coupling between the iron(III) ions with J = -17.5 cm -1 .

  一种新颖的双金属铁(III)复合物 [FeL[O2P(OPh)2]}2][ClO4]2 被合成并通过X射线单晶结构分析进行了表征，其中HL为双(苯并咪唑-2-基甲基)(2-羟乙基)胺。晶体为 triclinic，空间群为 P，晶格参数为：a = 11.523(9)Å，b = 11.809(6)Å，c = 13.406(4)Å，α = 68.52(4)°，β = 71.41(5)°，γ = 71.85(6)°，Z = 1。结构显示铁(III)离子由两个L配体的氧原子桥接，并且每个铁(III)离子端部与磷酸盐配体配位。4.2–300 K范围内的磁化率测量及基于各向同性海森堡模型的后续计算表明铁(III)离子之间存在反铁磁耦合，J = -17.5 cm-1。
• Anionic surfactants and detergents comprising them
  申请人：Henkel AG & Co. KGaA

  公开号：US10988710B2

  公开（公告）日：2021-04-27

  Surfactants of the general formula (I) in which R1 is a linear or branched akyl radical having 6 to 20, especially 10 to 16 C atoms, R2 and R3 independently of one another are H or H3CO, and M is hydrogen, an alkali metal or a moiety N+R4R5R6, in which R4, R5 and R6 independently of one another are hydrogen, an alkyl group having 1 to 6 C atoms or a hydroxyalkyl group having 2 to 6 C atoms, are readily incorporated into laundry detergents or cleaning products, possess outstanding performance qualities and can be prepared on the basis of renewable raw materials.

  通式（I）的表面活性剂，其中 R1 是具有 6 至 20 个，特别是 10 至 16 个 C 原子的直链或支链烷基，R2 和 R3 相互独立地为 H 或 H3CO，M 是氢、碱金属或分子 N+R4R5R6，其中 R4、R5 和 R6 相互独立地为氢、具有 1 至 6 个 C 原子的烷基或具有 2 至 6 个 C 原子的羟基烷基，易于掺入洗衣粉或清洁产品中，具有出色的性能品质，并可利用可再生原料制备。
• Anionic surfactants and washing agents containing said surfactants
  申请人：Henkel AG & Co. KGaA

  公开号：US10988709B2

  公开（公告）日：2021-04-27

  Surfactants of general formula (I), in which R1 denotes a linear or branched alkyl residue having 6 to 20, and in particular 8 to 14 carbon atoms, R2 denotes H or CH3, and M denotes hydrogen, an alkali metal or an N+R3R4R5 grouping, in which R3, R4 and R5, independently of one another, denote hydrogen, an alkyl group having 1 to 6 carbon atoms or a hydroxyalkyl group having 2 to 6 carbon atom, can be easily incorporated into washing or cleaning agents, have outstanding application-related properties, and can be produced based on renewable resources.

  通式(I)的表面活性剂，其中 R1 表示具有 6 至 20 个碳原子，特别是 8 至 14 个碳原子的直链或支链烷基残基，R2 表示 H 或 CH3，M 表示氢、碱金属或 N+R3R4R5 基团，其中 R3、R4 和 R5 相互独立、R3, R4 和 R5 相互独立地表示氢、具有 1 至 6 个碳原子的烷基或具有 2 至 6 个碳原子的羟烷基。
• Anionic surfactants and detergents and cleaning agents containing same
  申请人：Henkel AG & Co. KGaA

  公开号：US11174451B2

  公开（公告）日：2021-11-16

  An anionic surfactant of general formula (I) in which n and m are, independently of one another, numbers from 0 to 17 and 2

  一种通式(I)的阴离子表面活性剂，其中 n 和 m 分别为 0 至 17 的数字，2