disodium 1,5-naphthalenedisulfonate dihydrate | 76758-30-0

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸盐/亚磺酸盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: disodium 1,5-naphthalenedisulfonate dihydrate
• 英文别名: 1,5-Na2(1,5-naphthalenedisulfonate )*2H2O；naphthalene-1,5-disulfonic acid ; sodium salt；Naphthalin-1,5-disulfonsaeure; Natriumsalz
• CAS: 76758-30-0
• 化学式: C₁₀H₆O₆S₂*2H₂O*2Na
• 分子量: 368.296
• InChiKey: HMIRSXOOCYOFNI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.17
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  145.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

安全信息

• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2904100000

反应信息

• 作为反应物：
  描述：

  zinc(II) acetate dihydrate 、 disodium 1,5-naphthalenedisulfonate dihydrate 、 10,21-dimethyl-3,6,14,17-tetraazatricyclo [17.3.18,12]tetracosa-1(23),8,10,12(24),19,21-hexaene-23,24-diol 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到[Zn(10,21-dimethyl-3,6,14,17-tetraazatricyclo [17.3.18,12]tetracosa-1(23),8,10,12(24),19,21-hexaene-23,24-diolate (-2H))0.5(1,5-naphthalenedisulfonate)0.5]
  参考文献：
  名称：

  Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand

  摘要：

  Eight new compounds, namely, [Cu-2(L)]center dot 2NO(3)center dot H2O (1), [Cu(ox)(2)]center dot 0.5(H6L)center dot 3H(2)O (2), [Zn(L)(0.5)(nds)(0.5)] (3), [Zn-4(L)(2)(m-bdc)(2)]center dot 0.5H(2)O (4), [Cd(L)(0.5)(ox)(0.5)(H2O)]center dot MeOH center dot 1.25H(2)O (5), [Cd(L)(0.5)(H2O)(3)]center dot 0.5(p-bdc)center dot 1.5H(2)O (6), [Cd-2(L)(btec)(0.5)(H2O)(4)]center dot 2.5MeOH center dot H2O (7) and [Ni-2(L)(btec)(0.5)(H2O)]center dot MeOH center dot 1.5H(2)O (8) (H2L = 10,21-dimethyl-3,6,14,17-tetraazatricyclo [17.3.18,12] tetracosa-1(23), 8,10,12(24), 19,21-hexaene-23,24-diolate, ox = oxalate, nds = 1,5-naphthalenedisulfonate, m-bdc = 1,3-benzenedicarboxylate, p-bdc = 1,4-benzenedicarboxylate and btec = 1,2,4,5-benzenetetracarboxylate), have been synthesized. In compound 1, the L ligand coordinates with two Cu(II) atoms to form a [Cu2L](2+) unit. In compound 2, two ox anions chelate to one Cu(II) atom to form a [Cu(ox)(2)](2) unit. The (H6L)(4+) acts as a counter ion. The whole structures of 1 and 2 feature three-dimensional (3D) supramolecular architectures connected by weak Cu center dot center dot center dot O and hydrogen-bonding interactions, respectively. In compounds 3-5, the [M2L](2+) cations are bridged by nds, m-bdc and ox anions to form chains, respectively. The chains of 3 and 4 are further linked by hydrogen- bonding interactions into 2D and 3D supramolecular architectures, respectively. In compound 6, the macrocyclic L anion coordinates to two Cd(II) atoms to form a [Cd2L](2+) cation. The final structure of 6 exhibits a 3D supramolecular architecture linked by hydrogen bonds. In compound 7, Cd(II) atoms are linked by L anions to form two types of [Cd2L](2+) cations. One type of [Cd2L](2+) cations are bridged by btec anions to generate a polymeric anion chain, whereas the other [Cd2L](2+) cations are free. Further, the polymeric anion chains and the [Cd2L](2+) cations are linked by hydrogen bonds to generate a 2D supramolecular layer. In compound 8, btec anion bridges the [Ni2L](2+) cations to yield a 2D layer. Thermogravimetric analyses (TGA) for the compounds 1-8 have been investigated. In addition, the magnetic property for 1 and the luminescent properties for compounds 3-7 have also been studied. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.03.009