9-Azabicyclo<3.3.2>decan-10-on | 23799-27-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 9-Azabicyclo<3.3.2>decan-10-on
• 英文别名: 9-aza-bicyclo[3.3.2]decan-10-one；9-aza-10-oxo-bicyclo[3.3.2]decane；9-Azabicyclo[3.3.2]decan-10-one
• CAS: 23799-27-1
• 化学式: C₉H₁₅NO
• 分子量: 153.224
• InChiKey: GZOCMWSXQQHQDA-UHFFFAOYSA-N

物化性质

• 沸点：
  321.426±11.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.015±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  9-Azabicyclo<3.3.2>decan-10-on 在 potassium hydrogencarbonate 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Guest/Host Relationships in the Synthesis of the Novel Cage-Based Zeolites SSZ-35, SSZ-36, and SSZ-39

  摘要：

  Here, we report the synthesis and structure of three high-silica molecular sieves, SSZ-35, SSZ-36, and SSZ-39, that are prepared from a library of 37 different cyclic and polycyclic quaternized amine molecules that are used as structure-directing agents (SDAs). The size and shape of the quaternized amine molecules are purposely designed in order to obtain novel zeolite structures, and the synthesis of these molecules is presented. The selectivity for the three molecular sieve phases is found to depend on both the SDA and the degree of heteroatom lattice substitution of Al3+ or B3+ in the silicate framework. Molecular modeling is utilized to probe the effects of the nonbonded SDA/zeolite-framework interaction energy on the selectivity for the observed molecular sieve phase. The Rietveld refinement of the powder X-ray data confirms the structure of the SSZ-39 zeolite to be isomorphous with the aluminophosphate molecular sieve, SAPO-LS (AEI). The structure of SSZ-36 is found to possess a range of fault probabilities between the two-dimensional channel system, end-member polymorphs, ITQ-3 and RUB-13 (International Zeolite Association Codes ITE and RTH, respectively). The SSZ-35 structure is reported to contain a one-dimensional pore system possessing stacked cages circumscribed by alternating rings of 10 and 18 tetrahedral atoms (10- and 18-membered rings).

  DOI：

  10.1021/ja990722u
• 作为产物：
  描述：

  双环(3.3.1)壬基-9-酮 在 羟基氨基磺酸 作用下， 以 甲酸 为溶剂， 反应 18.0h， 以94%的产率得到9-Azabicyclo<3.3.2>decan-10-on
  参考文献：
  名称：

  Cyclic and acyclic amidines and pharmaceutical compositions containing them for use as progesterone receptor binning agents

  摘要：

  揭示了环状和非环状胺基甲酸盐，含有这种胺基甲酸盐的药物组合物，以及它们在治疗或预防孕激素受体介导的疾病或症状，如骨质疏松和骨质疏松症中的用途。

  公开号：

  US20030229072A1

文献信息

• Cyclic and acyclic amidines and pharmaceutical compositions containing them for use as progesterone receptor binning agents
  申请人：——

  公开号：US20030229072A1

  公开（公告）日：2003-12-11

  Disclosed are cyclic and acyclic amidines, pharmaceutical compositions containing such amidines, and their use in treating or preventing progesterone receptor mediated diseases or conditions, such as osteopenia and osteoporosis.

  揭示了环状和非环状胺基甲酸盐，含有这种胺基甲酸盐的药物组合物，以及它们在治疗或预防孕激素受体介导的疾病或症状，如骨质疏松和骨质疏松症中的用途。
• Ring contraction of N-chlorolactams, a novel rearrangement
  作者：Alexandre Drouin、Jean Lessard

  DOI：10.1016/j.tetlet.2006.04.024

  日期：2006.6

  Upon photolysis in methylene chloride at −78 °C, different N-chlorolactams underwent a novel ring contraction to the corresponding carbamoyl chlorides, which were converted to the methyl carbamates. The rearrangement is 100% stereoselective, occurring with retention of configuration at the migrating carbon center. The yields of isolated carbamates ranged from 40% to 57%, the other product being the

  在-78°C的二氯甲烷中光解后，不同的N-氯内酰胺发生新的环收缩，生成相应的氨基甲酰氯，然后将其转化为氨基甲酸甲酯。重排是100％立体选择性的，发生构型保留在迁移的碳中心。分离的氨基甲酸酯的产率为40％至57％，另一种产物为母体内酰胺，产率为18％至38％。
• Guest/Host Relationships in the Synthesis of the Novel Cage-Based Zeolites SSZ-35, SSZ-36, and SSZ-39
  作者：Paul Wagner、Yumi Nakagawa、Greg S. Lee、Mark E. Davis、Saleh Elomari、Ronald C. Medrud、S. I. Zones

  DOI：10.1021/ja990722u

  日期：2000.1.1

  Here, we report the synthesis and structure of three high-silica molecular sieves, SSZ-35, SSZ-36, and SSZ-39, that are prepared from a library of 37 different cyclic and polycyclic quaternized amine molecules that are used as structure-directing agents (SDAs). The size and shape of the quaternized amine molecules are purposely designed in order to obtain novel zeolite structures, and the synthesis of these molecules is presented. The selectivity for the three molecular sieve phases is found to depend on both the SDA and the degree of heteroatom lattice substitution of Al3+ or B3+ in the silicate framework. Molecular modeling is utilized to probe the effects of the nonbonded SDA/zeolite-framework interaction energy on the selectivity for the observed molecular sieve phase. The Rietveld refinement of the powder X-ray data confirms the structure of the SSZ-39 zeolite to be isomorphous with the aluminophosphate molecular sieve, SAPO-LS (AEI). The structure of SSZ-36 is found to possess a range of fault probabilities between the two-dimensional channel system, end-member polymorphs, ITQ-3 and RUB-13 (International Zeolite Association Codes ITE and RTH, respectively). The SSZ-35 structure is reported to contain a one-dimensional pore system possessing stacked cages circumscribed by alternating rings of 10 and 18 tetrahedral atoms (10- and 18-membered rings).