lithium 2,6-dimethylbenzenethiolate | 112319-95-6

• 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: lithium 2,6-dimethylbenzenethiolate
• 英文别名: Li(2,6-dimethylbenzenethiolate)；Lithium;2,6-dimethylbenzenethiolate
• CAS: 112319-95-6
• 化学式: C₈H₉S*Li
• 分子量: 144.166
• InChiKey: JLLNPRWZANGTCU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.79
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  lithium 2,6-dimethylbenzenethiolate 以 甲醇 为溶剂， 生成 {ruthenium((SCH2(CH3)C6H3)(S(CH3)2C6H3)(NO))2(S(CH3)2C6H3)(nitrosyl)}(1-)
  参考文献：
  名称：

  Soong, Sheng-Lu; Hain Jr., John H.; Millar, Michelle, Organometallics, 1988, vol. 7, # 2, p. 556 - 557

  摘要：

  DOI：

文献信息

• Syntheses, Structures, and Reactivities of Mono- and Dinuclear Iridium Thiolato Complexes Containing Nitrosyl Ligands
  作者：Shoji Matsukawa、Shigeki Kuwata、Masanobu Hidai

  DOI：10.1021/ic990805b

  日期：2000.2.1

  of the iridium(III) nitrosyl complex [Ir(NO)Cl2(PPh3)2] (1) with hydrosulfide and arenethiolate anions afforded the square-pyramidal iridium(III) complex [Ir(NO)(SH)2(PPh3)2] (2) with a bent nitrosyl ligand and a series of the square-planar iridium(I) complexes [Ir(NO)(SAr)2(PPh3)] (3a, Ar = C6H2Me3-2,4,6 (Mes); 3b, Ar = C6H3Me2-2,6 (Xy); 3c, Ar = C6H2Pri3-2,4,6) containing a linear nitrosyl ligand

  铱（III）亚硝酰基配合物[Ir（NO）Cl2（PPh3）2]（1）与氢硫化物和芳硫醇根阴离子的反应，得到方形-金字塔形铱（III）配合物[Ir（NO）（SH）2（PPh3） 2]（2），具有亚硝酰基弯曲的配体和一系列正方形的铱（I）络合物[Ir（NO）（SAr）2（PPh3）]（3a，Ar = C6H2Me3-2,4,6（Mes ）； 3b，Ar ＝含线性亚硝酰基配体的Ar ＝ C6H3Me2-2，6（Xy）； 3c，Ar ＝含线性亚硝酰基配体的C6H2Me1-3，4，6）。配合物1也与链烷硫醇酸根阴离子或链烷硫醇反应，生成巯基桥联的二铱配合物[Ir（NO）（mu-SPri）（SPri）（PPh3）] 2（4）和[Ir（NO）（mu-SBut）（ PPh3）] 2（5）。配合物4包含两个带有弯曲亚硝酰基配体的方形金字塔形铱（III）中心，而配合物5包含两个带有线性亚硝酰基配体的四面体铱（
• Syntheses of Tantalum(V) Complexes Containing Tetramethylpyrrolyl, Pyrrolyl, and Indolyl Ligands
  作者：Keith G. Parker、Bruce Noll、C. G. Pierpont、M. Rakowski DuBois

  DOI：10.1021/ic9509544

  日期：1996.1.1

  (eta(5)-TMP)TaMe(3)Cl (1). Reactions of 1 with a series of anionic ligands have been carried out to form products of the formula (eta(5)-TMP)TaMe(3)X, where X = SR, Me, pyrrolyl, or indolyl. Crystals of (eta(5)-TMP)TaMe(3)(indolyl) (5), were isolated in space group P2(1)/c with a = 8.957(2) Å, b = 28.540(6) Å, c = 14.695(3) Å, beta = 99.40(3) degrees, V = 3706.1(14) Å(3), and Z = 8. The structure confirmed the

  TaMe（3）Cl（2）与四甲基吡咯（Li-TMP）的锂盐的反应导致形成（eta（5）-TMP）TaMe（3）Cl（1）。已经进行了1与一系列阴离子配体的反应以形成式（eta（5）-TMP）TaMe（3）X的产物，其中X = SR，Me，吡咯基或吲哚基。（eta（5）-TMP）TaMe（3）（吲哚基）（5）的晶体在空间组P2（1）/ c中被隔离，其中a = 8.957（2）Å，b = 28.540（6）Å，c = 14.695（3）Å，β= 99.40（3）度，V = 3706.1（14）Å（3），Z =8。该结构证实了四甲基吡咯基配体的eta（5）结合模式和eta（ 1）-吲哚基配体的N-配位模式（eta（5）-TMP）TaMe（3）X的稳定性有限，在某些情况下已鉴定出在室温下甲苯溶液中形成的分解产物。研究了（eta（5）-TMP）TaMe（3）（吡咯基）与氢（2-3 atm）在室温下在
• Investigating intermolecular bonding in diphenylbismuth(III) chalcogenolates: X-ray crystal structures of (Ph2BiSR′) (R′=Ph; 2,6-Me2C6H3)
  作者：Glen G. Briand、Andreas Decken、Nicole M. Hunter、Graham M. Lee、Jennifer A. Melanson、Evan M. Owen

  DOI：10.1016/j.poly.2011.11.011

  日期：2012.1

  The reaction of Ph2BiCl with (PhS)Li or (2,6-Me2C6H3S)Li yielded [Ph2BiSPh](infinity), (7) or Ph2BiS(2,6-Me2C6H3)] (8), respectively. Both compounds have been characterized by elemental analysis, melting point, FT-IR, FT-Raman, solution H-1 and C-13H-1) NMR, and X-ray crystallography. The solid-state structure of 7 is polymeric via long intermolecular Bi center dot center dot center dot S interactions and mu-SPh groups, yielding a distorted psi-trigonal bipyramidal C2S2 bonding environment for bismuth. Increasing steric bulk at the phenyl thiolate ligand in 8 results in the isolation of a monomeric species, which exhibits a distorted psi-tetrahedral C2S bonding environment for bismuth. Comparison to previously reported structures of diorganobismuth chalcogenolates shows the effect of altering the chalcogen on intermolecular Bi center dot center dot center dot E (E = O, S, Se) bond formation. OFT calculations are employed to rationalize the bonding environments at bismuth and the observed polymeric structures. This work represents the first examples of structurally characterized R2BiSR' species and advances our understanding of intermolecular bonding in bismuth chalcogenolates. (C) 2011 Elsevier Ltd. All rights reserved.