1,3-bis(phenylsulfinyl)butane | 161811-31-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3-bis(phenylsulfinyl)butane
• 英文别名: 1,4-bis(phenylsulfinyl)butane；4-(benzenesulfinyl)butylsulfinylbenzene
• CAS: 161811-31-0
• 化学式: C₁₆H₁₈O₂S₂
• 分子量: 306.45
• InChiKey: IWGNEGPSKSOERM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  72.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 1,3-bis(phenylsulfinyl)butane 在 diethoxyethane 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Flexiblemeso-Bis(sulfinyl) Ligands as Building Blocks for Copper(II) Coordination Polymers: Cavity Control by Varying the Chain Length of Ligands

  摘要：

  Fillings and cavities: Three novel pseudo-octahedral metal-organic frameworks, 1-3, consisting of macrometallacyclic noninterpenetrating meso networks and exhibiting weak antiferromagnetic interactions, have been constructed from CuII centers and structurally flexible R,S-bis(sulfinyl) ligands. Varying the chain length of ligands is found to control the cavity sizes of the networks.

  DOI：

  10.1002/1521-3773(20010903)40:17<3201::aid-anie3201>3.0.co;2-z
• 作为产物：
  描述：

  α-Bromoethyl phenyl sulfoxide 在 aluminum oxide 、 dicobalt octacarbonyl 作用下， 以 正己烷 为溶剂， 以50%的产率得到ethylphenylsulfoxide
  参考文献：
  名称：

  Selective dehalogenation of .alpha.-bromo sulfoxides by dicobalt octacarbonyl on alumina

  摘要：

  DOI：

  10.1021/jo00171a047

文献信息

• Novel Cd(ii) coordination polymers with flexible disulfoxide ligands: effects of ligand spacers, terminal groups and counter anions on the complex framework formations
  作者：Jian-Rong Li、Xian-He Bu、Ruo-Hua Zhang

  DOI：10.1039/b316441a

  日期：——

  Five novel Cd(II) coordination polymers with three structurally related flexible disulfoxide ligands, [Cd(L1)3](ClO4)2}n (1), [Cd(L2)3](ClO4)2(CHCl3)}n (2), [Cd(L2)(NO3)2(H2O)]n (3), [Cd2(L3)2(NO3)4]n (4) and [Cd(L3)3](ClO4)2}n (5), where L1 = 1,3-bis(phenylsulfinyl)propane, L2 = 1,4-bis(phenylsulfinyl)butane and L3 = 1,4-bis(ethylsulfinyl)butane, were synthesized and structurally determined by X-ray diffraction. Complex 1 has a 2D layer structure, in which part of the L1 ligands bridge the Cd(II) ions to form double-bridging chains and the other part of ligands link such chains to form a 2D framework. Complexes 2 and 5 are isomorphous, showing unusual 2D (3,6) network structures containing triangular grids. Complex 3 adopts a 2D (4,4) network formed by L2 linking the NO3− bridged (Cd–O–N–O–)n 1D zigzag chains. By contrast, 4 is a 1D chain, in which two Cd(II) centers are bridged by μ2-O of sulfoxide groups to form a dinuclear unit, and L3 ligands link such dinuclear units to form a 1D double-bridging chain. The structural differences among such complexes show that the ligand nature and counter anions have important influences on the complex structures, which may provide a rational method for controlling the framework formation in metal–organic coordination polymers.

  五种新型 Cd(II) 配位聚合物，具有三个结构相关的柔性二亚砜配体，[Cd(L1)3](ClO4)2}n (1), [Cd(L2)3](ClO4)2(CHCl3)}n (2)、[Cd(L2)(NO3)2(H2O)]n (3)、[Cd2(L3)2(NO3)4]n (4) 和 [Cd(L3)3](ClO4)2}n (5) 式中 L1 = 1,3-双（苯亚磺酰基）丙烷，L2 = 1,4-双(苯基亚磺酰基)丁烷和 L3 = 1,4-双(乙基亚磺酰基)丁烷，通过X射线衍射合成并确定结构。配合物1具有二维层状结构，其中部分L1配体桥接Cd(II)离子形成双桥链，另一部分配体连接这些链形成二维骨架。配合物 2 和 5 是同晶的，显示出包含三角形网格的不寻常的 2D (3,6) 网络结构。复合物3采用由L2形成的2D（4,4）网络，连接NO3−桥接（Cd-O-N-O-）n 1D锯齿形链。相比之下，4是一条一维链，其中两个Cd(II)中心通过μ2-O亚砜基团桥接形成双核单元，L3配体连接这些双核单元形成一维双桥链。此类配合物之间的结构差异表明配体性质和抗衡阴离子对配合物结构具有重要影响，这可能为控制金属有机配位聚合物中骨架的形成提供合理的方法。
• Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties
  作者：Jian-Rong Li、Xian-He Bu、Ruo-Hua Zhang、Chun-Ying Duan、Keith Man-Chung Wong、Vivian Wing-Wah Yam

  DOI：10.1039/b308473f

  日期：——

  Five representative lanthanide coordination compounds with a disulfoxide ligand [L=1,4-bis(phenylsulfinyl)butane], [Ln(L)4](ClO4)3 (Ln=La, 1; Eu, 2; Gd, 3; Tb, 4; Yb, 5), have been synthesized and structurally characterized by single-crystal X-ray diffraction. These compounds have isostructural mononuclear structures, in which the ligand L coordinates to the metal ions through O donors in chelating

  五种具有二亚砜的代表性镧系元素配位化合物 配体[ L =1,4-双（苯亚磺酰基）丁烷]，[Ln（L）4 ]（ClO 4）3 （Ln = La，1 ; Eu，2 ; Gd，3 ; Tb，4 ; Yb，5），已经合成并在结构上表征为单晶X射线衍射。这些化合物具有同构单核结构，其中配体 L以螯合配位方式通过O供体与金属离子配位。固态和溶液中2和4的发光研究显示出通常的以金属为中心的发射光谱配体到金属的能量转移，其强度和寿命与以前报道的类似络合物[Ln（L）2（DMF）4 ]（ClO 4）3 · n H 2 O} ∝相比增加 （Ln = Eu ，ñ = 4，6 ; LN = Tb时，ñ = 3，7）。还研究了这些络合物在溶液中的稳定性。
• Crystal structure and spectral properties of a new type of polymeric complex with 18-membered macrocycles [Nd(C16H18S2O2)2(NO3)3]n
  作者：Ruo-Hua Zhang、Bao-Qing Ma、Xian-He Bu、Hong-Gen Wang、Xin-Kan Yao

  DOI：10.1016/s0277-5387(96)00501-3

  日期：1997.3

  Abstract The neodymium nitrate complex with 1,4-bis(phenylsulfinyl)butane(bphsb)[Ln(bphsb)2(NO3)3]n has been synthesized and characterized. The X-ray crystal structure determination of the complex indicates that bphsb and neodymium(III) ion form a polymeric chain involving 18-membered macrocycles, each macrocycle comprising two neodymium(III) ions. The adjacent metal centres are linked by the bridging

  摘要合成并表征了具有1,4-双（苯基亚磺酰基）丁烷（bphsb）[Ln（bphsb）2（NO3）3] n的硝酸钕配合物。对该配合物的X射线晶体结构测定表明，bphsb和钕（III）离子形成包含18元大环的聚合物链，每个大环包含两个钕（III）离子。相邻的金属中心通过桥联配体连接。每个钕离子都是十配位的，配位几何形状是扭曲的4,4位有位的方形反棱镜。还研究了该配合物的固体和溶液的红外光谱和吸收光谱。
• Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array:  Syntheses, Crystal Structures, and Properties
  作者：Xian-He Bu、Wei Weng、Miao Du、Wei Chen、Jian-Rong Li、Ruo-Hua Zhang、Li-Juan Zhao

  DOI：10.1021/ic010932j

  日期：2002.2.1

  The syntheses, characterization, structures, and properties of a series of Ln(III) coordination polymers with a flexible bis(sulfinyl) ligand, 1,4-bis(phenylsulfinyl)butane (L), are reported. Unique noninterpenetrated two-dimensional (4,4) nets are formed in these complexes. The coordination number of the Ln(III) ions across the whole Ln(III) series remains unchanged, and all the complexes of this series are isomorphous and isostructural. The perchlorate anions may set as a template in the formation of these unique square arrays, and the counteranions may be a key factor in controlling the structures of such complexes.
• Zhang, Ruo-Hua; Zhan, Ya-Li; Chen, Jing-Tang, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1995, vol. 25, p. 283 - 292
  作者：Zhang, Ruo-Hua、Zhan, Ya-Li、Chen, Jing-Tang

  DOI：——

  日期：——