8-methyl-2-chloromethyl-1,4,6,9-tetraoxaspiro[4.4]nonane | 93398-97-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 8-methyl-2-chloromethyl-1,4,6,9-tetraoxaspiro[4.4]nonane
• 英文别名: 7-chloromethyl-2-methyl-1,4,6,9-tetraoxaspiro[4.4]nonane；2-(Chloromethyl)-7-methyl-1,4,6,9-tetraoxaspiro[4.4]nonane；3-(chloromethyl)-8-methyl-1,4,6,9-tetraoxaspiro[4.4]nonane
• CAS: 93398-97-1
• 化学式: C₇H₁₁ClO₄
• 分子量: 194.615
• InChiKey: TYNPLBMPDXQMLH-UHFFFAOYSA-N

物化性质

• 沸点：
  218.7±35.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-methyl-2-chloromethyl-1,4,6,9-tetraoxaspiro[4.4]nonane 在 sodium ethanolate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以65%的产率得到8-methyl-2-methylene-1,4,6,9-tetraoxaspiro[4.4]nonane
  参考文献：
  名称：

  8-甲基-2-亚甲基-1,4,6,9-四氧杂螺[4.4]壬烷的合成与结构

  摘要：

  By reacting propylene carbonate with epichlorohydrin 8-methyl-2-chloromethyl-1,4,6,9-tetraoxaspiro[4.4]nonane was obtained that afforded 8-methyl-2-methylene-1,4,6,9-tetraoxaspiro[4.4]nonane on dehydrochlorination. The spirocompounds synthesized are composed of stereoisomers mixtures containing: cis,syn, cis,anti-, trans,syn-, trans,anti-isomers and cis,syn-, cis,anti-isomers, respectively. These isomers are distinguished by a different orientation of substituents in positions 2 and 8 with respect to two five-membered rings.

  DOI：

  10.1023/a:1016570117121
• 作为产物：
  描述：

  碳酸丙烯酯 、 环氧氯丙烷 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以34%的产率得到8-methyl-2-chloromethyl-1,4,6,9-tetraoxaspiro[4.4]nonane
  参考文献：
  名称：

  8-甲基-2-亚甲基-1,4,6,9-四氧杂螺[4.4]壬烷的合成与结构

  摘要：

  By reacting propylene carbonate with epichlorohydrin 8-methyl-2-chloromethyl-1,4,6,9-tetraoxaspiro[4.4]nonane was obtained that afforded 8-methyl-2-methylene-1,4,6,9-tetraoxaspiro[4.4]nonane on dehydrochlorination. The spirocompounds synthesized are composed of stereoisomers mixtures containing: cis,syn, cis,anti-, trans,syn-, trans,anti-isomers and cis,syn-, cis,anti-isomers, respectively. These isomers are distinguished by a different orientation of substituents in positions 2 and 8 with respect to two five-membered rings.

  DOI：

  10.1023/a:1016570117121

文献信息

• US4849529A
  申请人：——

  公开号：US4849529A

  公开（公告）日：1989-07-18
• US4870193A
  申请人：——

  公开号：US4870193A

  公开（公告）日：1989-09-26
• ——
  作者：V. V. Zaitseva、T. G. Tyurina、S. Yu. Suikov、S. L. Bogza、S. P. Kobzev

  DOI：10.1023/a:1016570117121

  日期：——

  By reacting propylene carbonate with epichlorohydrin 8-methyl-2-chloromethyl-1,4,6,9-tetraoxaspiro[4.4]nonane was obtained that afforded 8-methyl-2-methylene-1,4,6,9-tetraoxaspiro[4.4]nonane on dehydrochlorination. The spirocompounds synthesized are composed of stereoisomers mixtures containing: cis,syn, cis,anti-, trans,syn-, trans,anti-isomers and cis,syn-, cis,anti-isomers, respectively. These isomers are distinguished by a different orientation of substituents in positions 2 and 8 with respect to two five-membered rings.

表征谱图