1-(3-乙基-2,2-二甲基环丁基)乙酮 | 4951-97-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-乙基-2,2-二甲基环丁基)乙酮
• 英文名称: 1-((1R)-2.2-dimethyl-3c-ethyl-cyclobutyl-(r))-ethanone-(1)
• 英文别名: 1-((1R)-2.2-Dimethyl-3c-aethyl-cyclobutyl-(r))-aethanon-(1)；1-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]ethanone
• CAS: 4951-97-7
• 化学式: C₁₀H₁₈O
• 分子量: 154.252
• InChiKey: XNOFWVNVNSRMKB-IUCAKERBSA-N

物化性质

• 沸点：
  237.64°C (rough estimate)
• 密度：
  0.8704 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3-乙基-2,2-二甲基环丁基)乙酮 、 乙烯基溴化镁 生成
  参考文献：
  名称：

  WO2007/130218

  摘要：

  公开号：
• 作为产物：
  描述：

  生成 1-(3-乙基-2,2-二甲基环丁基)乙酮
  参考文献：
  名称：

  WO2007/130218

  摘要：

  公开号：

文献信息

• Studies on the Oxidation of cis- and trans-Pinane with molecular oxygen
  作者：Thomas Brose、Wilhelm Pritzkow、Gerda Thomas

  DOI：10.1002/prac.19923340506

  日期：——

  The pinanes are preferably attacked at the tertiary C-H bond in 2-position, but' products of the oxidative attack at the secondary C-H bonds in 3- and 4-position are also found. At 100-degrees-C cis-pinane is attacked more easily than trans-pinane (k(cis):k(trans) = 6.4), the relative rates of attack at the secondary C-H bonds in positions 3 and 4 with respect to the tertiary C-H bond in 2-position were also determined (in cis-pinane k(sec):k(tert) = 0.027; in trans-pinane k(sec):k(tert) = 0.20). After the attack at the 2-C-H bond the radical formed can either react with oxygen to form the corresponding cis- and trans-peroxy radicals and further to give cis- and trans-2-hydroperoxy pinane or fragmentate to the monocyclic radical derived from alpha-terpinene, giving as final products alpha-terpinene hydroperoxide and the bicyclic 8-hydroperoxy 4,4,8-trimethyl 2,3-dioxabicyclo[3.3.1]nonane. The corresponding alcohols were found after reduction with sodium sulphite. The oxidation at position 2 of the pinanes delivers not only the cis- and trans-hydroperoxide but also, as short-lived intermediates, the corresponding 2-pinanyloxy radicals. These radicals fragmentate forming a carbon radical with cyclobutane structure whose oxidation products were identified. Besides fragmentation of the 2-pinanyloxy radical also an intramolecular H-transfer from the methyl group in 9-position to the oxygen of the trans-2-pinanyloxy radical takes place leading to 9-hydroperoxy trans-pinane-2-ol.
• WO2007/130218
  申请人：——

  公开号：——

  公开（公告）日：——