3-propylhexanenitrile | 73383-04-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-propylhexanenitrile
• CAS: 73383-04-7
• 化学式: C₉H₁₇N
• 分子量: 139.241
• InChiKey: NNTXKLUPOCEAEX-UHFFFAOYSA-N

物化性质

• 沸点：
  213.1±8.0 °C(Predicted)
• 密度：
  0.814±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-propylhexanenitrile 在 溶剂黄146 、 肼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 5-乙基-4-(4-庚烷基)-1H-吡唑-3-胺
  参考文献：
  名称：

  Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands

  摘要：

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00398-5
• 作为产物：
  描述：

  3,3-dicyclopropylacrylonitrile 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 异丙醇 为溶剂， 以85%的产率得到3-propylhexanenitrile
  参考文献：
  名称：

  Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands

  摘要：

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00398-5

文献信息

• .omega.-Dialkylalkanoic acid derivatives used to induce antianoxic
  申请人：Labaz

  公开号：US04246282A1

  公开（公告）日：1981-01-20

  .omega.-Dialkylalkanoic acid derivatives of the formula: ##STR1## in which R.sub.1 and R.sub.2, which can be the same or different, each represent an alkyl radical having from 1 to 4 carbon atoms and n represents 0, 1, 2 or 3. They possess a competitive inhibitory activity with respect to .gamma.-aminobutyric .alpha.-ketoglutaric transaminase as well as antianoxic and anticonvulsant properties and they are useful for treating central neurological disorders, whether resulting or not from cerebral ischemia, and disorders relating to the field of neuropsychiatry.

  该公式的.omega.-二烷基脂肪酸衍生物：##STR1## 其中R.sub.1和R.sub.2可以相同也可以不同，均代表具有1至4个碳原子的烷基基团，n代表0、1、2或3。它们具有相对于.γ.-氨基丁酸.α.-酮戊二酸转氨酶的竞争性抑制活性，以及抗缺氧和抗抽搐性质，适用于治疗中枢神经系统障碍，无论是否由脑缺血引起，以及与神经精神病学领域相关的障碍。
• Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group
  申请人：Nakazato Atsuro

  公开号：US20070254898A1

  公开（公告）日：2007-11-01

  [Problem to be Solved] An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastral diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alpecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. [Solution] A thienopyrimidine or thienopyridine derivative substituted with a cyclic amino group represented by the following formula [I]: has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  【待解决的问题】本发明的目的是提供一种针对CRF受体的拮抗剂，其作为治疗或预防代理，对CRF参与的疾病具有有效性，例如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合症、睡眠障碍、癫痫、皮炎、精神分裂症等。 【解决方案】一种噻唑嘧啶或噻唑吡啶衍生物，其被一个以下式[I]所代表的环状氨基团置换，具有高亲和力的CRF受体，对CRF参与的疾病具有有效性。
• Unusually Chemoselective Photocyclization of 2-(Hydroxyimino)aldehydes to Cyclobutanol Oximes: Synthetic, Stereochemical, and Mechanistic Aspects
  作者：Antonio Di Sabato、Francesca D’Acunzo、Dario Filippini、Fabrizio Vetica、Antonio Brasiello、Davide Corinti、Enrico Bodo、Cinzia Michenzi、Edoardo Panzetta、Patrizia Gentili

  DOI：10.1021/acs.joc.2c01503

  日期：2022.11.4

  diastereoselectively (up to >99:1), and in good to excellent yields (up to 95%). CBO oxime ether derivatives can be purified and diastereomers isolated by standard column chromatography. The mechanistic and stereochemical picture of this photocyclization reaction, as well as of the postcyclization E/Z isomerization of the oxime double bond is completed.

  羰基化合物的光环化（称为 Norrish-Yang 反应）生成环丁醇通常伴随着裂解反应。后者在醛的情况下占主导地位，因此二级环丁醇不被认为可以通过直接的 Norrish-Yang 反应获得。我们的实验室报告了一个值得注意的例外情况，其中在 2-(羟基亚氨基) 醛 (HIA) 的紫外线照射下观察到具有仲醇功能的环丁醇。此处通过结合合成、光谱数据、分子动力学和 DFT 计算来详细研究该反应。合成方法通常适用于一系列 HIA，化学选择性地提供相应的环丁醇肟 (CBO)（即没有相当大的碎片副反应），非对映选择性（高达 >99:1），收率良好（高达 95%）。CBO 肟醚衍生物可以通过标准柱层析进行纯化和非对映体分离。这种光环化反应的机理和立体化学图，以及后环化肟双键的E /Z异构化完成。
• US4246282A
  申请人：——

  公开号：US4246282A

  公开（公告）日：1981-01-20
• US7557111B2
  申请人：——

  公开号：US7557111B2

  公开（公告）日：2009-07-07