N,6,6-trimethyl-2-hepten-4-yn-1-amine | 216873-06-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,6,6-trimethyl-2-hepten-4-yn-1-amine
• 英文别名: N,6,6-trimethylhept-2-en-4-yn-1-amine
• CAS: 216873-06-2
• 化学式: C₁₀H₁₇N
• 分子量: 151.252
• InChiKey: XQRHBYHDDOJZTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-bromomethyl-benzo[b]thiophene 、 N,6,6-trimethyl-2-hepten-4-yn-1-amine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以64%的产率得到Benzo[b]thiophen-5-ylmethyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-methyl-amine
  参考文献：
  名称：

  Synthesis and structure-activity relationships of benzo[b]thienylallylamine antimycotics

  摘要：

  Benzo[b]thiophene analouges of the allylamine antimycotic terbinafine (2) bearing the side chain at various positions and optionally substituted by halogen have been prepared and their antifungal activity studied. Derivatives bearing the side chain at positions 3, 4, or 7 are bioequivalents of 2. Compounds containing the allylamine side chain at position 7, with a further substituent at position 3, showed significantly enhanced activity against Candida albicans, an effect which appears to be specifically linked only to this particular substitution pattern. 3-Chloro-7-benzo[b]thienyl derivative 7m was found to be the most potent allylamine antimycotic identified so far. In general, substituted benzo[b]thiophenes can be used not only as potential equivalents of naphthalene in bioactive compounds but also as a tool to selectively modify biological activities.

  DOI：

  10.1021/jm00105a011
• 作为产物：
  描述：

  1-bromo-6,6-dimethyl-2-hepten-4-yne 、 甲胺 以to form N-methyl-N-(6,6-dimethylhept-2-en-4-ynyl)amine的产率得到N,6,6-trimethyl-2-hepten-4-yn-1-amine
  参考文献：
  名称：

  Process for the preparation of 6,6-dimethylhept-1-en-4-yn-3-ol

  摘要：

  本发明提供了一种制备6,6-二甲基庚-1-烯-4-炔-3-醇的方法，包括将叔丁基乙炔与从有机金属化合物和金属锂组成的质子提取剂中选择的一种反应，形成叔丁基乙炔基，将乙炔基与丙烯醛在-40℃至+20℃的温度下反应，淬灭反应混合物并分离产物。

  公开号：

  US06570044B2

文献信息

• Benzopyrane and benzothiopyrane derivatives useful as anti-mycotic agents
  申请人：Sandoz Ltd.

  公开号：US04382951A1

  公开（公告）日：1983-05-10

  Benzopyrane and benzothiopyrane derivatives which possess pharmaceutical in particular anti-mycotic activity.

  苯并吡喃和苯并噻吩衍生物具有药物特性，特别是抗真菌活性。
• Amine derivatives
  申请人：Pola Chemical Industries, Inc.

  公开号：US06586633B1

  公开（公告）日：2003-07-01

  The present invention relates to amine derivatives represented by formula (1) or salts thereof. R3 represents C1-C3 alkyl, hydroxylated C1-C5 alkyl, C1-C5 acyl; C2-C5 alkenyl, or a halogen atom; and k, l, and m are each an integer of 1 to 4.) Exhibiting excellent antifungal effect, these compounds are highly useful as antifungal agents, antifungal compositions, drugs, etc.

  本发明涉及由公式（1）表示的胺衍生物或其盐。其中，R3表示C1-C3烷基、羟基化的C1-C5烷基、C1-C5酰基、C2-C5烯基或卤素原子；k、l和m均为1至4的整数。这些化合物展示出优异的抗真菌效果，可作为抗真菌剂、抗真菌组合物、药物等高度有用。
• Synthesis and structure-activity relationships of benzo[b]thienylallylamine antimycotics
  作者：Peter Nussbaumer、Gabor Petranyi、Anton Stuetz

  DOI：10.1021/jm00105a011

  日期：1991.1

  Benzo[b]thiophene analouges of the allylamine antimycotic terbinafine (2) bearing the side chain at various positions and optionally substituted by halogen have been prepared and their antifungal activity studied. Derivatives bearing the side chain at positions 3, 4, or 7 are bioequivalents of 2. Compounds containing the allylamine side chain at position 7, with a further substituent at position 3, showed significantly enhanced activity against Candida albicans, an effect which appears to be specifically linked only to this particular substitution pattern. 3-Chloro-7-benzo[b]thienyl derivative 7m was found to be the most potent allylamine antimycotic identified so far. In general, substituted benzo[b]thiophenes can be used not only as potential equivalents of naphthalene in bioactive compounds but also as a tool to selectively modify biological activities.
• Process for the preparation of 6,6-dimethylhept-1-en-4-yn-3-ol
  申请人：——

  公开号：US20020016517A1

  公开（公告）日：2002-02-07

  The invention provides a process for the preparation of 6,6-dimethylhept-1-en-4-yn-3-ol comprising of reacting t-butylacetylene with a proton-extracting agent selected from the group consisting of an organometallic compound and metallic lithium to form a t-butylacetylide, reacting the acetylide with acrolein at temperatures between −40° C. to +20° C., quenching the reaction mixture and isolating the product.

  这项发明提供了一种制备6,6-二甲基庚-1-烯-4-炔-3-醇的方法，包括将叔丁基乙炔与从有机金属化合物和金属锂组成的质子提取剂中选择的一种反应，形成叔丁基乙炔基，将乙炔基与丙烯醛在-40℃至+20℃的温度范围内反应，淬灭反应混合物并分离产物。