| 138667-99-9

• CAS: 138667-99-9
• 化学式: C₂₀H₂₆Cl₄Ga₂
• 分子量: 547.684
• InChiKey: VXPGFZMSQAISBB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 THF 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Organogallium compounds containing the neophyl substituent. Crystal and molecular structure of trans-[(PhMe2CCH2)2GaN(H)(Pr)]2

  摘要：

  A series of organogallium compounds which contain the neophyl substituent including Ga(CH2CMe2Ph)3, Ga(CH2CMe2Ph)2Cl, Ga(CH2CMe2Ph)Cl2, and (PhMe2CCH2)2GaN(H)(Pr) have been prepared in high yield by reactions typical of organogallium chemistry. The characterization data include elemental analyses, melting points, NMR and IR spectroscopic studies, and cryoscopic molecular weight studies. All data are consistent with the conclusions that Ga(CH2CMe2Ph)3 is monomeric in benzene solution whereas Ga(CH2CMe2Ph)2Cl, Ga(CH2CMe2Ph)Cl2, and (PhMe2CCH2)2GaN(H)(Pr) are dimeric. The gallium amide [(PhMe2CCH2)2GaN(H)(Pr)]2 crystallizes in the centrosymmetric triclinic space group P1 (No. 2) with alpha = 10.739 (2) angstrom, b = 10.844 (2) angstrom, c = 11.125 (2) angstrom, alpha = 69.14 (1)-degrees, beta = 62.96 (1)-degrees, gamma = 76.74 (1)-degrees, V = 1074.7 (3) angstrom 3, and Z = 1. Diffraction data (Mo K-alpha, 2-theta = 5-50-degrees) were collected on a Siemens R3m/V automated four-circle diffractometer, and the structure was refined to R = 3.57% and wR = 3.46% for all 3803 unique reflections (R = 2.52%, wR = 2.62% for those 3111 data with \F(o)\ > 6-sigma(\F(o)\)). The molecule lies on a crystallographic inversion center and thus has a strictly planar Ga2N2 core. Distances of interest include Ga-CH2CMe2Ph = 1.992 (2) and 1.994 (3) angstrom and Ga-N(bridging) = 2.013 (2) and 2.029 (2) angstrom.

  DOI：

  10.1021/om00039a009
• 作为产物：
  描述：

  2-甲基-2-苯基丙基氯化镁 以 乙醚 、 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  Organogallium compounds containing the neophyl substituent. Crystal and molecular structure of trans-[(PhMe2CCH2)2GaN(H)(Pr)]2

  摘要：

  A series of organogallium compounds which contain the neophyl substituent including Ga(CH2CMe2Ph)3, Ga(CH2CMe2Ph)2Cl, Ga(CH2CMe2Ph)Cl2, and (PhMe2CCH2)2GaN(H)(Pr) have been prepared in high yield by reactions typical of organogallium chemistry. The characterization data include elemental analyses, melting points, NMR and IR spectroscopic studies, and cryoscopic molecular weight studies. All data are consistent with the conclusions that Ga(CH2CMe2Ph)3 is monomeric in benzene solution whereas Ga(CH2CMe2Ph)2Cl, Ga(CH2CMe2Ph)Cl2, and (PhMe2CCH2)2GaN(H)(Pr) are dimeric. The gallium amide [(PhMe2CCH2)2GaN(H)(Pr)]2 crystallizes in the centrosymmetric triclinic space group P1 (No. 2) with alpha = 10.739 (2) angstrom, b = 10.844 (2) angstrom, c = 11.125 (2) angstrom, alpha = 69.14 (1)-degrees, beta = 62.96 (1)-degrees, gamma = 76.74 (1)-degrees, V = 1074.7 (3) angstrom 3, and Z = 1. Diffraction data (Mo K-alpha, 2-theta = 5-50-degrees) were collected on a Siemens R3m/V automated four-circle diffractometer, and the structure was refined to R = 3.57% and wR = 3.46% for all 3803 unique reflections (R = 2.52%, wR = 2.62% for those 3111 data with \F(o)\ > 6-sigma(\F(o)\)). The molecule lies on a crystallographic inversion center and thus has a strictly planar Ga2N2 core. Distances of interest include Ga-CH2CMe2Ph = 1.992 (2) and 1.994 (3) angstrom and Ga-N(bridging) = 2.013 (2) and 2.029 (2) angstrom.

  DOI：

  10.1021/om00039a009