chlorodineopentylphenylsilane | 176248-02-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: chlorodineopentylphenylsilane
• 英文别名: chloro-bis(2,2-dimethylpropyl)-phenylsilane
• CAS: 176248-02-5
• 化学式: C₁₆H₂₇ClSi
• 分子量: 282.929
• InChiKey: YNYJJCPXZHOCIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  chlorodineopentylphenylsilane 在 盐酸 、 三氯化铝 、 lithium 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 2.25h， 生成 1,2-Dichlorotetraneopentyldisilane
  参考文献：
  名称：

  Dibenzo[b, e]-7,7,8,8-tetraneopentyl- and dibenzo[b, e]-7,7,8,8-tetraisopropyl-7,8-disilabicyclo[2.2.2]octa-2,5-dienes: interaction with tetracyanoethylene and transition metal chlorides

  摘要：

  Dibenzo[b,e]-7,7,8,8-tetraalkyl-7,8-disilabicyclo[2.2.2]octa-2, 5-dienes (1: R = (t)BuCH(2); 2: R = Pr-i) were prepared by the reaction of CIR(2)SiSiR(2)Cl with lithium anthracenide in 1,2-dimethoxyethane (DME) at room temperature. The structure of 1 was determined by X-ray crystallography, Crystal data for 1: monoclinic, C2/c, a = 12.941(2), b = 14.601(1), c = 35.109(6) Angstrom, beta = 94.957(7)degrees, V = 6609(2) Angstrom(3), Z = 8, R = 0.045, R(w) = 0.053 for 4037 reflections. Compounds 1 and 2 show the bachochromic shift of (1)L(a) and (1)L(b) bands in UV spectra and exhibit considerably low oxidation potentials due to effective sigma-pi conjugation. Compounds 1 and 2 form charge-transfer complexes with tetracyanoethylene (TCNE). In the case of 1, the charge-transfer complex (1: TCNE = 2: 1) could be isolated as crystals and the structure was determined by X-ray crystallography. Crystal data for the 1-TCNE complex: monoclinic, C2/c, a = 10.267(2), b = 36.077(4), c = 20.022(4) Angstrom, beta = 100.680(8)degrees, V = 7288(2) Angstrom(3), Z = 4, R = 0.045, R(w) = 0.077 for 4120 reflections. The action of transition metal chlorides on 2 resulted in [4 + 2] cycloreversion to form (ClPr2SiSiPr2Cl)-Pr-i-Pr-i and anthracene.

  DOI：

  10.1016/0022-328x(95)05907-7
• 作为产物：
  描述：

  (2,2-二甲基丙基)锂 、 苯基三氯硅烷 以 乙醚 、 Petroleum ether 为溶剂， 反应 12.0h， 以88%的产率得到chlorodineopentylphenylsilane
  参考文献：
  名称：

  Dibenzo[b, e]-7,7,8,8-tetraneopentyl- and dibenzo[b, e]-7,7,8,8-tetraisopropyl-7,8-disilabicyclo[2.2.2]octa-2,5-dienes: interaction with tetracyanoethylene and transition metal chlorides

  摘要：

  Dibenzo[b,e]-7,7,8,8-tetraalkyl-7,8-disilabicyclo[2.2.2]octa-2, 5-dienes (1: R = (t)BuCH(2); 2: R = Pr-i) were prepared by the reaction of CIR(2)SiSiR(2)Cl with lithium anthracenide in 1,2-dimethoxyethane (DME) at room temperature. The structure of 1 was determined by X-ray crystallography, Crystal data for 1: monoclinic, C2/c, a = 12.941(2), b = 14.601(1), c = 35.109(6) Angstrom, beta = 94.957(7)degrees, V = 6609(2) Angstrom(3), Z = 8, R = 0.045, R(w) = 0.053 for 4037 reflections. Compounds 1 and 2 show the bachochromic shift of (1)L(a) and (1)L(b) bands in UV spectra and exhibit considerably low oxidation potentials due to effective sigma-pi conjugation. Compounds 1 and 2 form charge-transfer complexes with tetracyanoethylene (TCNE). In the case of 1, the charge-transfer complex (1: TCNE = 2: 1) could be isolated as crystals and the structure was determined by X-ray crystallography. Crystal data for the 1-TCNE complex: monoclinic, C2/c, a = 10.267(2), b = 36.077(4), c = 20.022(4) Angstrom, beta = 100.680(8)degrees, V = 7288(2) Angstrom(3), Z = 4, R = 0.045, R(w) = 0.077 for 4120 reflections. The action of transition metal chlorides on 2 resulted in [4 + 2] cycloreversion to form (ClPr2SiSiPr2Cl)-Pr-i-Pr-i and anthracene.

  DOI：

  10.1016/0022-328x(95)05907-7