1,1,03,3-tetramethyl-3-germa-6-oxabicyclo[3.1.0]hexane | 51343-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: 1,1,03,3-tetramethyl-3-germa-6-oxabicyclo[3.1.0]hexane
• 英文别名: 1,3,3,5-Tetramethyl-6-oxa-3-germabicyclo[3.1.0]hexane；1,3,3,5-tetramethyl-6-oxa-3-germabicyclo[3.1.0]hexane
• CAS: 51343-31-8
• 化学式: C₈H₁₆GeO
• 分子量: 200.804
• InChiKey: VWBIJAMLBUZCHX-UHFFFAOYSA-N

物化性质

• 沸点：
  175.4±50.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,1,03,3-tetramethyl-3-germa-6-oxabicyclo[3.1.0]hexane 以 solid matrix 为溶剂， 生成 二甲基氧化锗
  参考文献：
  名称：

  Generation, low-temperature stabilization, structure, and reactivity of intermediates with low-coordinated carbon, silicon, and germanium atoms

  摘要：

  The mechanisms of thermal and photochemical transformations of organic and organometallic compounds which pass through formation of different reactive intermediates were investigated by low-temperature matrix IR spectroscopy. Low-temperature matrix stabilization of the intermediates, the primary products of these reactions, was conducted at 10-15 K. The spectral and structural parameters of the free radicals (CCl3, CCl2Br, CClBr2, CH2CH=CH2, CF2CF=CF2, CH2-C=CH, CH2C=N, CH2Ph, CF2C6F5), halocarbenes and their silicon and germanium analogs, and unstable molecules with double-bond silicon and germanium atoms were obtained as a result.

  DOI：

  10.1007/bf00961022
• 作为产物：
  描述：

  1,1,3,4-四甲基-1-锗杂-3-环戊烯 在 间氯过氧苯甲酸 作用下， 以 乙醚 为溶剂， 以>99的产率得到1,1,03,3-tetramethyl-3-germa-6-oxabicyclo[3.1.0]hexane
  参考文献：
  名称：

  Manuel, Georges; Bertrand, Guy; El Anba, Fatiha, Organometallics, 1983, vol. 2, # 3, p. 391 - 394

  摘要：

  DOI：

文献信息

• Vacuum Pyrolysis−Matrix Isolation FTIR and Density Functional Theoretical Studies of Transient Dimethylgermanone, (CH₃)₂GeO
  作者：Valery N. Khabashesku、Sergei E. Boganov、Konstantin N. Kudin、John L. Margrave、Oleg M. Nefedov

  DOI：10.1021/om9806803

  日期：1998.11.1

  germene (CH3)2GeCH2 (9) and acrolein from 2 and of isopropenyl methyl ketone from 3 have also been observed, providing evidence for a new route of the thermal decomposition of epoxides 2 and 3. Vibrational assignments of the spectral bands, attributed to germanone 1 and its cyclodimer 6, have been done by comparison with the density functional theory B3LYP/6-311G(d,p) calculated harmonic frequencies and

  瞬态有机锗酮（CH 3）2 Ge O（1）是由3,3-二甲基-6-氧杂-3-germabicyclo [3.1.0]己烷（2）及其1,3的三种前体通过真空热解生成的。1,3,5-四甲基类似物（3）和八甲基环四锗烷（4），并通过FTIR光谱在12 K的氩气低温固态基质中直接观察到。的不稳定的二聚体1四甲基-1,3- cyclodigermoxane（6）已在基质隔离热解产物的光谱被初步确定从2 - 4。瞬态生殖烯（CH 3）2的产生葛CH 2（9）和由丙烯醛2和从异丙烯基甲基酮的3也已经观察到，对于环氧化物的热分解的新路径提供证据2和3。光谱带的振动分配，归因于锗烷1及其环二聚体6通过与密度泛函理论B3LYP / 6-311G（d，p）的比较计算得出谐波频率和红外强度，并通过振动可视化和计算每个正常模式的势能分布（PED）进行了比较。实验和计算频率与观察到的锗自然丰度引起的Ge O和Ge-C
• Generation, low-temperature stabilization, structure, and reactivity of intermediates with low-coordinated carbon, silicon, and germanium atoms
  作者：O. M. Nefedov

  DOI：10.1007/bf00961022

  日期：1991.11

  The mechanisms of thermal and photochemical transformations of organic and organometallic compounds which pass through formation of different reactive intermediates were investigated by low-temperature matrix IR spectroscopy. Low-temperature matrix stabilization of the intermediates, the primary products of these reactions, was conducted at 10-15 K. The spectral and structural parameters of the free radicals (CCl3, CCl2Br, CClBr2, CH2CH=CH2, CF2CF=CF2, CH2-C=CH, CH2C=N, CH2Ph, CF2C6F5), halocarbenes and their silicon and germanium analogs, and unstable molecules with double-bond silicon and germanium atoms were obtained as a result.
• Manuel, Georges; Bertrand, Guy; El Anba, Fatiha, Organometallics, 1983, vol. 2, # 3, p. 391 - 394
  作者：Manuel, Georges、Bertrand, Guy、El Anba, Fatiha

  DOI：——

  日期：——