4-乙基环己胺 | 90226-27-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-乙基环己胺
• 英文名称: trans-4-ethylcyclohexylamine hydrochloride
• 英文别名: 4-trans-ethylcyclohexylamine hydrochloride；4-Ethylcyclohexan-1-amine hydrochloride；4-ethylcyclohexan-1-amine;hydrochloride
• CAS: 90226-27-0
• 化学式: C₈H₁₇N*ClH
• 分子量: 163.691
• InChiKey: JKKFTHMBRYCGEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-乙基环己胺 在 三乙胺 、 sodium nitrite 作用下， 以 甲酸 为溶剂， 生成 N'-(4-乙基环己基)-N-(2-氟乙基)-N-亚硝基脲
  参考文献：
  名称：

  合成潜在的抗癌药。38. N-亚硝基脲。4.卤代乙基衍生物的进一步合成和评价。

  摘要：

  DOI：

  10.1021/jm00289a011
• 作为产物：
  描述：

  4-(Ethyl)cyclohexanone oxime 在 sodium 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 17.5h， 生成 4-乙基环己胺
  参考文献：
  名称：

  WO2007/6760

  摘要：

  公开号：

文献信息

• [EN] TREATMENT OF CHAGAS DISEASE<br/>[FR] TRAITEMENT DE LA MALADIE DE CHAGAS
  申请人：UNIV DUNDEE

  公开号：WO2015189595A1

  公开（公告）日：2015-12-17

  The invention provides compounds of the formula: wherein L1 and L2 are independently selected from O and S; R1 is C3-C6straight or branched alkyl, C3-C7cycloalkyl, C5-C7cycloalkenyl, adamantly, phenyl or saturated heterocyclyl, any of which being optionally substituted; R2 is H, methyl or ethyl; R5 is NRxCORy, NRxRy, CH2COCH3, CH2C≡N, or a 5- or 6-membered heteroaryl group which is optionally substituted; X, Y and Z are independently N or CH; Rx is independently H or C1-C4alkyl; Ry is independently H, CrC4alkyl, phenyl or benzyl, either of which is optionally substituted; n is 0-3; salts, hydrates and N-oxides, wherein the optional substituents are further defined in the claims. The compounds have utility in the prophylaxis or treatment of trypanosomal diseases, such as T. cruzi (Chagas disease).

  该发明提供了以下式的化合物：其中L1和L2分别选自O和S；R1为C3-C6直链或支链烷基，C3-C7环烷基，C5-C7环烯基，脱氢胆固醇，苯基或饱和杂环烷基，其中任一可选择地被取代；R2为H，甲基或乙基；R5为NRxCORy，NRxRy，CH2COCH3，CH2C≡N，或者是可选择地被取代的5-或6-成员杂芳基团；X、Y和Z分别为N或CH；Rx分别为H或C1-C4烷基；Ry分别为H，CrC4烷基，苯基或苄基，其中任一可选择地被取代；n为0-3；盐、水合物和N-氧化物，其中可选择的取代基在权利要求中进一步定义。这些化合物在预防或治疗锥虫病等锥虫病方面具有用途。
• Reductive Amination of Aldehyde and Ketone with Ammonia and H2 by an In Situ-Generated Cobalt Catalyst under Mild Conditions
  作者：Shiyun Zhang、Yue Hu、Meichao Li、Yinjun Xie

  DOI：10.1021/acs.orglett.4c02365

  日期：2024.8.30

  approach for the synthesis of primary amines via reductive amination using H2 as a reductant and aqueous ammonia as a nitrogen source, catalyzed by amorphous Co particles. The highly active Co particles were prepared in situ by simply mixing commercially available CoCl2 and NaBH4/NaHBEt3 without any ligand or support. This reaction system features mild conditions (80 °C, 1–10 bar), high selectivity (99%)

  在此，我们提出了通过还原胺化合成伯胺的最简单方法，使用H 2作为还原剂和氨水作为氮源，在无定形Co颗粒的催化下。通过简单地将市售CoCl 2和NaBH 4 /NaHBEt 3混合而原位制备高活性Co颗粒，无需任何配体或载体。该反应体系具有条件温和（80℃，1~10bar）、选择性高（99%）、底物范围广、操作简单、催化剂易于分离等特点。该反应在伯胺生产中的成功大规模应用表明了其潜在的工业利益。
• WO2007/6814
  申请人：——

  公开号：——

  公开（公告）日：——
• TREATMENT OF CHAGAS DISEASE
  申请人：UNIVERSITY OF DUNDEE

  公开号：US20170114029A1

  公开（公告）日：2017-04-27

  The invention provides compounds of the formula: wherein L 1 and L 2 are independently selected from O and S; R 1 is C 3 -C 6 straight or branched alkyl, C 3 -C 7 cycloalkyl, C 5 -C 7 cycloalkenyl, adamantly, phenyl or saturated heterocyclyl, any of which being optionally substituted; R 2 is H, methyl or ethyl; R 5 is NRxCORy, NRxRy, CH 2 COCH 3 , CH 2 C≡N, or a 5- or 6-membered heteroaryl group which is optionally substituted; X, Y and Z are independently N or CH; Rx is independently H or C 1 -C 4 alkyl; Ry is independently H, CrC4alkyl, phenyl or benzyl, either of which is optionally substituted; n is 0-3; salts, hydrates and N-oxides, wherein the optional substituents are further defined in the claims. The compounds have utility in the prophylaxis or treatment of trypanosomal diseases, such as T. cruzi (Chagas disease).