N-乙基-3-氮杂双环[3.2.2]壬烷 | 37485-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 中文名称: N-乙基-3-氮杂双环[3.2.2]壬烷
• 英文名称: N-ethyl-3-azabicyclo<3.2.2>nonane
• 英文别名: 3-Aethyl-3-aza-bicyclo<3.2.2>nonan；3-ethyl-3-azabicyclo[3.2.2]nonane
• CAS: 37485-11-3
• 化学式: C₁₀H₁₉N
• 分子量: 153.268
• InChiKey: HOQAGCMQDUTNPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-乙基-3-氮杂双环[3.2.2]壬烷 、 碘甲烷 在 potassium hydrogencarbonate 作用下， 以 甲醇 为溶剂， 生成 3-ethyl-3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
  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：

  3-氮杂双环(3.2.2)壬烷 在 甲基碘化镁 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 4.25h， 生成 N-乙基-3-氮杂双环[3.2.2]壬烷
  参考文献：
  名称：

  氨基羰基化合物的立体化学—X 1：格氏添加和氢化物还原中胺部分对1-2、1-5和1-6不对称诱导的影响

  摘要：

  标题反应由于立体选择性阻碍在α-不对称氨基酮（氨基1和2）和一个不对称中心远离反应中心在β-（甲基哌啶） -酮（11 - 14）进行了研究。获得（氨基醇3 - 8和15 - 22）已经在大多数情况下，用NMR归属的相对构型被分离。基于非对映体比率，已经提出了N配位的环状过渡态，并且至少对于β-氨基酮体系上的格氏反应是有效的。

  DOI：

  10.1016/s0040-4020(01)97970-0

文献信息

• N-alkylation of N-heterocyclic ionic liquid precursors in ionic liquids
  作者：Thomas Rüther、Tamsyn Ross、Emily J. Mensforth、Anthony Frank Hollenkamp

  DOI：10.1039/b817526h

  日期：——

  The room temperature ionic liquids [BMIM][PF6] and [P14][Tf2N] in conjunction with KOH are superior reaction media for the alkylation of the secondary amine 3-azabicyclo[3.2.2]nonane under mild conditions. The factors examined were alkyl halide chain length (C1 to C4) and halide identity (Cl, Br, I). The tertiary amine products are released from the reaction medium as a separate layer and can be isolated in good yields by simple decantation.

  室温离子液体[BMIM][PF6]和[P14][Tf2N]与 KOH 在温和条件下是仲胺 3-氮杂双环[3.2.2]壬烷烷基化反应的优良反应介质。考察的因素包括烷基卤化物链长（C1 至 C4）和卤化物特性（Cl、Br、I）。叔胺产物从反应介质中分离出来，只需简单倾析即可分离，收率很高。
• Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells
  申请人：UNIVERSITÉ DE MONTRÉAL

  公开号：US10336747B2

  公开（公告）日：2019-07-02

  Pyrimido[4,5-b]indole derivatives are provided. These compounds are useful to expand hematopoietic stem cell populations, particularly, human hematopoietic stem cell populations. The compounds are also useful in the medical treatment of diseases that involve hematopoietic stem cells.

  本研究提供了嘧啶并[4,5-b]吲哚衍生物。这些化合物有助于扩大造血干细胞群，特别是人类造血干细胞群。这些化合物还可用于治疗涉及造血干细胞的疾病。
• ANGIOLINI, L.;BIZZARRI, P. C.;SCAPINI, G.;TRAMONTINI, M., TETRAHEDRON, 1981, 37, N 11, 2137-2142
  作者：ANGIOLINI, L.、BIZZARRI, P. C.、SCAPINI, G.、TRAMONTINI, M.

  DOI：——

  日期：——
• CATALYSTS AND METHODS FOR POLYMER SYNTHESIS
  申请人：Allen Scott D.

  公开号：US20110152497A1

  公开（公告）日：2011-06-23

  The present invention provides unimolecular metal complexes having increased activity in the copolymerization of carbon dioxide and epoxides. Also provided are methods of using such metal complexes in the synthesis of polymers. According to one aspect, the present invention provides metal complexes comprising an activating species with co-catalytic activity tethered to a multidentate ligand that is coordinated to the active metal center of the complex.
• PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS
  申请人：UNIVERSITÉ DE MONTRÉAL

  公开号：US20170334904A1

  公开（公告）日：2017-11-23

  Pyrimido[4,5-b]indole derivatives are provided. These compounds are useful to expand hematopoietic stem cell populations, particularly, human hematopoietic stem cell populations. The compounds are also useful in the medical treatment of diseases that involve hematopoietic stem cells.