{bis(1,1,4,4-tetraethyl-2H,3H-1,4-disila[3,4:9,10]naphto)}-1,1,2,2,5,5,8,8-octaethyl-1,2,5,8-tetrasilacyclodeca-3,9-diene

• 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: {bis(1,1,4,4-tetraethyl-2H,3H-1,4-disila[3,4:9,10]naphto)}-1,1,2,2,5,5,8,8-octaethyl-1,2,5,8-tetrasilacyclodeca-3,9-diene
• 英文别名: bis(1,1,4,4-tetraethyl-2H,3H-1,4-disila[3,4, 9, 10]naphtho)-1,1,2,2,5,5,8,8-octaethyl-1,2,5,8-tetrasilacyclodeca-3,9-diene；2,2,3,3,7,7,10,10,14,14,17,17,21,21,24,24-Hexadecaethyl-2,3,7,10,14,17,21,24-octasilapentacyclo[16.8.0.04,13.06,11.020,25]hexacosa-1(18),4(13),5,11,19,25-hexaene；2,2,3,3,7,7,10,10,14,14,17,17,21,21,24,24-hexadecaethyl-2,3,7,10,14,17,21,24-octasilapentacyclo[16.8.0.04,13.06,11.020,25]hexacosa-1(18),4(13),5,11,19,25-hexaene
• 化学式: C₅₀H₉₆Si₈
• 分子量: 921.996
• InChiKey: GQGPDMGMKBVKRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.07
• 重原子数：
  58
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  乙烯 、 benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene) 以 苯 为溶剂， 250.0 ℃ 、3.4 MPa 条件下， 反应 24.0h， 以60%的产率得到benzo[1,2:4,5]bis(1,1,4,4-tetraethyl-1,4-disilacyclohex-5-ene)
  参考文献：
  名称：

  Thermal behavior of benzobis(tetraethyldisilacyclobutene)

  摘要：

  标题：摘要 在250°C的高压釜中，苯并[1,2:4,5]双(1,1,2,2-四乙基-1,2-二硅环丁-3-烯)（1）与乙烯热解反应24小时，得到两种产物：化合物2，由1分子和两个乙烯分子组成，产率为60％；化合物3，由2分子1和三个乙烯分子组成，产率为20％。1与苯乙炔在150°C反应24小时，产生两种位置异构体4a和4b，产率为86％。1与1-己炔在150°C反应24小时，产生两种位置异构体5a和5b，产率为85％。

  DOI：

  10.1515/znb-2015-0155

文献信息

• Palladium- and platinum-catalyzed reactions of benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene) with alkenes
  作者：Akinobu Naka、Kyung Koo Lee、Kazunari Yoshizawa、Tokio Yamabe、Mitsuo Ishikawa

  DOI：10.1016/s0022-328x(99)00236-3

  日期：1999.9

  The palladium-catalyzed reaction of benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene) (1) with styrene in refluxing benzene afforded two regioisomers of 1:2 adducts, benzo[1,2](1,1,4,4-tetraethyl-2-phenyl-1,4-disilacyclohex-4-ene)[4,5](1,1,4,4-tetraethyl-3-phenyl-1,4-disilacyclohex-4-ene) and benzo[1,2:4,5]bis(1,1,4,4-tetraethyl-2-phenyl-1,4-disilacyclohex-4-ene), whose isomers consist of cis and trans in a ratio of 1:1 in 91% combined yield. Similar reaction of 1 with I-hexene gave two regioisomers involving cis and trans isomers in 89% combined yield. With ethylene, 1 produced benzo[1,2:4,5]bis(1,1,4,4-tetraethyl-1,4-disilacyclohex-5-ene) (8) in 70% yield, together with a 15% yield of a 2:3 adduct. The platinum-catalyzed reaction of 1 with styrene gave a 1:1 mixture of cis- and trans-benzo[1,2:4,5]bis(2-benzyl-1,1,3,3-tetraethyl-1,3-disilacyclopent-4-ene) in 90% yield. Similar treatment of 1 with 1-hexene produced cis- and trans-benzo[1,2:4,5]bis(1,1,3,3-tetraethyl-2-pentyl-1,3-disilacylopent-4-ene) in a ratio of 1:1 in 92% yield, while with ethylene, 1 afforded 8 as a main product, in addition to two types of 1:2 adduct as minor products. (C) 1999 Elsevier Science S.A. All rights reserved.
• Thermal behavior of benzobis(tetraethyldisilacyclobutene)
  作者：Akinobu Naka、Kazunari Yoshizawa、Mitsuo Ishikawa

  DOI：10.1515/znb-2015-0155

  日期：2016.3.1

  The thermolysis of benzo[1,2:4,5]bis(1,1,2, 2-tetraethyl-1,2-disilacyclobut-3-ene) (1) in the presence of ethylene in an autoclave at 250 °C for 24 h afforded two products, compound2, consisting of one molecule of1and two ethylene molecules, and compound3, arising from two molecules of1and three molecules of ethylene in 60 and 20 % yields, respectively. The reaction of1with phenylacetylene at 150 °C for 24 h gave a mixture of regio-isomers4aand4b, arising from the insertion of the triple bond of phenylacetylene into two silicon–silicon bonds in1in 86 % combined yield. The reaction of1with 1-hexyne at 150 °C for 24 h again produced two regio-isomers5aand5bin 85 % combined yield.

  标题：摘要 在250°C的高压釜中，苯并[1,2:4,5]双(1,1,2,2-四乙基-1,2-二硅环丁-3-烯)（1）与乙烯热解反应24小时，得到两种产物：化合物2，由1分子和两个乙烯分子组成，产率为60％；化合物3，由2分子1和三个乙烯分子组成，产率为20％。1与苯乙炔在150°C反应24小时，产生两种位置异构体4a和4b，产率为86％。1与1-己炔在150°C反应24小时，产生两种位置异构体5a和5b，产率为85％。