ScCl3(diglyme) | 236744-71-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ScCl3(diglyme)
• 英文别名: 1-Methoxy-2-(2-methoxyethoxy)ethane;trichloroscandium
• CAS: 236744-71-1
• 化学式: C₆H₁₄Cl₃O₃Sc
• 分子量: 285.49
• InChiKey: FTCVTBLPTLIAQW-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ScCl3(diglyme) 生成 [Sc2(μ-OH)2(H2O)10]Cl4*2H2O
  参考文献：
  名称：

  Dehydration of scandium chloride hydrate: synthesis and molecular structures of ScCl3(η2-DME)(MeCN), ScCl3(diglyme) and [Sc2(μ-OH)2(H2O)10]Cl4·2H2O

  摘要：

  Various dehydration procedures have been evaluated for ScCl3. 6H(2)O, The ScCl3(DME)(MeCN) 1 and ScCl3(diglyme) 2 [diglyme=MeO(CH2CH2O)(2)Me] adducts have been synthesized by a ligand-exchange reaction from ScCl3(THF)(3) in acetonitrile. The diglyme adduct could also be obtained by dehydration of ScCl3. 6H(2)O by trimethylchlorosilane in diethylether in the presence of the ligand. The complexes were characterized by FT-IR, H-1 NMR and by X-ray diffraction. They both correspond to monomeric species based on distorted hexacoordinated scandium. Hydrolysis of 2 gave [Sc-2(mu-OH)(2)(H2O)(10)]Cl-4. 2H(2)O, 3. The Sc-O coordination bonds of 1 and of 2 [2.207(1) Angstrom for the DME adduct, 2.165(8)-2.257(9) Angstrom for 2] have lengths comparable to the Sc-O(H2O) bonds of 3 [2.172(4)-2.217(5) Angstrom], but were longer than the Sc-OH ones [2.064(5) Angstrom]. The dimeric cations, in which the metals are heptacoordinated, are associated by hydrogen bonding (similar to 2.737(5) Angstrom) between coordinated and crystallization-type water molecules. As a result, chains are developed along the a axis. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00063-7
• 作为产物：
  描述：

  scandium(III) chloride hexahydrate 、 二乙二醇二甲醚 在 Me₃SiCl 作用下， 以 乙醚 、 二乙二醇二甲醚 为溶剂， 以95%的产率得到ScCl3(diglyme)
  参考文献：
  名称：

  Dehydration of scandium chloride hydrate: synthesis and molecular structures of ScCl3(η2-DME)(MeCN), ScCl3(diglyme) and [Sc2(μ-OH)2(H2O)10]Cl4·2H2O

  摘要：

  Various dehydration procedures have been evaluated for ScCl3. 6H(2)O, The ScCl3(DME)(MeCN) 1 and ScCl3(diglyme) 2 [diglyme=MeO(CH2CH2O)(2)Me] adducts have been synthesized by a ligand-exchange reaction from ScCl3(THF)(3) in acetonitrile. The diglyme adduct could also be obtained by dehydration of ScCl3. 6H(2)O by trimethylchlorosilane in diethylether in the presence of the ligand. The complexes were characterized by FT-IR, H-1 NMR and by X-ray diffraction. They both correspond to monomeric species based on distorted hexacoordinated scandium. Hydrolysis of 2 gave [Sc-2(mu-OH)(2)(H2O)(10)]Cl-4. 2H(2)O, 3. The Sc-O coordination bonds of 1 and of 2 [2.207(1) Angstrom for the DME adduct, 2.165(8)-2.257(9) Angstrom for 2] have lengths comparable to the Sc-O(H2O) bonds of 3 [2.172(4)-2.217(5) Angstrom], but were longer than the Sc-OH ones [2.064(5) Angstrom]. The dimeric cations, in which the metals are heptacoordinated, are associated by hydrogen bonding (similar to 2.737(5) Angstrom) between coordinated and crystallization-type water molecules. As a result, chains are developed along the a axis. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00063-7

文献信息

• Dehydration of scandium chloride hydrate: synthesis and molecular structures of ScCl3(η2-DME)(MeCN), ScCl3(diglyme) and [Sc2(μ-OH)2(H2O)10]Cl4·2H2O
  作者：Valérie Ripert、Liliane G. Hubert-Pfalzgraf、Jacqueline Vaissermann

  DOI：10.1016/s0277-5387(99)00063-7

  日期：1999.5

  Various dehydration procedures have been evaluated for ScCl3. 6H(2)O, The ScCl3(DME)(MeCN) 1 and ScCl3(diglyme) 2 [diglyme=MeO(CH2CH2O)(2)Me] adducts have been synthesized by a ligand-exchange reaction from ScCl3(THF)(3) in acetonitrile. The diglyme adduct could also be obtained by dehydration of ScCl3. 6H(2)O by trimethylchlorosilane in diethylether in the presence of the ligand. The complexes were characterized by FT-IR, H-1 NMR and by X-ray diffraction. They both correspond to monomeric species based on distorted hexacoordinated scandium. Hydrolysis of 2 gave [Sc-2(mu-OH)(2)(H2O)(10)]Cl-4. 2H(2)O, 3. The Sc-O coordination bonds of 1 and of 2 [2.207(1) Angstrom for the DME adduct, 2.165(8)-2.257(9) Angstrom for 2] have lengths comparable to the Sc-O(H2O) bonds of 3 [2.172(4)-2.217(5) Angstrom], but were longer than the Sc-OH ones [2.064(5) Angstrom]. The dimeric cations, in which the metals are heptacoordinated, are associated by hydrogen bonding (similar to 2.737(5) Angstrom) between coordinated and crystallization-type water molecules. As a result, chains are developed along the a axis. (C) 1999 Elsevier Science Ltd. All rights reserved.