2-methylspiro(1,3-oxathiolan-4,3')quinuclidine | 124620-83-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 2-methylspiro(1,3-oxathiolan-4,3')quinuclidine
• 英文别名: 2-Methylspiro[1,3-oxathiolane-4,3'-1-azabicyclo[2.2.2]octane]
• CAS: 124620-83-3
• 化学式: C₁₀H₁₇NOS
• 分子量: 199.317
• InChiKey: WKNMHUFRGTUBQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  37.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Spiro[1-azabicyclo[2.2.2]octane-3,2'-thiirane] 、 乙醛 生成 2-methylspiro(1,3-oxathiolan-4,3')quinuclidine
  参考文献：
  名称：

  FISHER, ABRAHAM;KARTON, ISHAI

  摘要：

  DOI：

文献信息

• Novel oxathiolanes and derivatives thereof, pharmaceutical compositions containing them and the use thereof as medicaments
  申请人：State of Israel Represented by the Prime Minister's Office The Israel Institute for Biological Research

  公开号：EP0314444A2

  公开（公告）日：1989-05-03

  Novel spiro-oxathiolane/quinuclidine com­pounds correspond with the schematic structural formula (I) and geometrical isomers, enantiomers, diastereo­isomers, racemates and acid addition salts thereof, wherein one of Y and Z is O and the other is S (=O)n; n is 0, 1 or 2; R′ and R˝ are each selected from the group consisting of hydrogen, alkyl, alkenyl, alkynyl, hydroxyalkyl, aminoalkyl, C₃₋₇ cycloalkyl, aryl, diarylmethylol and alkyl substituted by at least one aryl group, provided that at least R′ or R˝ is other than hydrogen; and each X is hydrogen, or when Y is O and Z is S(=O)n simultaneously, then each X may also be selected from the group consisting of deuterium and tritium, and provided further that when each X is hydrogen, Y is O and Z is S simultaneously, then at least one of R′ and R˝ is selected from the group consisting of alkenyl, alkynyl, cyclopropyl, cyclobutyl, cyclo­heptyl, hydroxyalkyl and aminoalkyl. These compounds are useful for manufacturing therapeutic and diag­nostic agents applicable to disorders of or relating to the central nervous and cholinergic systems.

  新型螺-氧硫杂环戊烷/奎宁环化合物符合结构式 (I) 及其几何异构体、对映体、非对映异构体、外消旋体和酸加成盐，其中 Y 和 Z 的一个为 O，另一个为 S (=O)n；n 为 0、1 或 2；R′ 和 R˝ 各自选自由氢、烷基、烯基、炔基、羟烷基、氨基烷基、C₃₋₇ 环烷基、芳基、二芳基甲醇和至少被一个芳基取代的烷基组成的组，条件是至少 R′ 或 R˝ 不是氢；且每个 X 为氢，或当 Y 同时为 O 和 Z 同时为 S(=O)n 时，则每个 X 也可选自由氘和氚组成的组，而且当每个 X 为氢、Y 同时为 O 和 Z 同时为 S 时，则 R′和 R˝ 中至少有一个选自由烯基、炔基、环丙基、环丁基、环庚基、羟基烷基和氨基烷基组成的组。这些化合物可用于制造治疗和诊断中枢神经系统和胆碱能系统失调或与之有关的药物。
• US4876260A
  申请人：——

  公开号：US4876260A

  公开（公告）日：1989-10-24