2-(3,3-dimethylbut-1-ynyl)thiazole | 329202-28-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3,3-dimethylbut-1-ynyl)thiazole
• 英文别名: 2-(3,3-dimethyl-1-butynyl)-1,3-thiazole；2-(3,3-dimethylbut-1-ynyl)-1,3-thiazole
• CAS: 329202-28-0
• 化学式: C₉H₁₁NS
• 分子量: 165.259
• InChiKey: NAYYAPCYHWXYIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  236.1±23.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  一氧化碳 、 2-(3,3-dimethylbut-1-ynyl)thiazole 在 亚磷酸三苯酯 、 Rh(1+)(1,5-cyclooctadiene)(η6-C6H5B(1-)Ph3) 、 氢气 作用下， 以 二氯甲烷 为溶剂， 110.0 ℃ 、2.13 MPa 条件下， 反应 36.0h， 以89%的产率得到2-(Z)-6-(E)-6-(2,2-dimethylpropyl)-4H-[1,4]-thiazepin-5-one
  参考文献：
  名称：

  2-(Z)-6-(E)-4H-[1,4]-Thiazepin-5-ones 通过两性离子铑催化化学和区域选择性环烃基化环扩展乙炔噻唑的显着合成

  摘要：

  在 CO、H(2) 和催化量的两性离子铑配合物 (eta(6)-C(6)H(5)BPh(3))(-)Rh(+) 存在下炔类噻唑的环烃基化扩环)(1,5-COD) 和亚磷酸三苯酯以 61% 到 90% 的产率提供噻嗪酮。这种从 5 元杂环到 7 元杂环的新转变很容易应用于在噻唑环的 4 和 5 位含有氢、烷基、卤代烷、乙烯基和苯并取代基以及烷基-、醚-、 2 位酯-、乙烯基-和芳基-取代的炔烃。

  DOI：

  10.1021/ja003085c
• 作为产物：
  描述：

  2-溴噻唑 、 3,3-二甲基-1-丁炔 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以95%的产率得到2-(3,3-dimethylbut-1-ynyl)thiazole
  参考文献：
  名称：

  2-(Z)-6-(E)-4H-[1,4]-Thiazepin-5-ones 通过两性离子铑催化化学和区域选择性环烃基化环扩展乙炔噻唑的显着合成

  摘要：

  在 CO、H(2) 和催化量的两性离子铑配合物 (eta(6)-C(6)H(5)BPh(3))(-)Rh(+) 存在下炔类噻唑的环烃基化扩环)(1,5-COD) 和亚磷酸三苯酯以 61% 到 90% 的产率提供噻嗪酮。这种从 5 元杂环到 7 元杂环的新转变很容易应用于在噻唑环的 4 和 5 位含有氢、烷基、卤代烷、乙烯基和苯并取代基以及烷基-、醚-、 2 位酯-、乙烯基-和芳基-取代的炔烃。

  DOI：

  10.1021/ja003085c

文献信息

• Imidazolyl and pyrazolyl ethyne compounds
  申请人：Cosford D. Nicholas

  公开号：US20050085523A1

  公开（公告）日：2005-04-21

  In accordance with the present invention, there is provided a novel class of heterocyclic compounds. Compounds of the invention contain a substituted, unsaturated five, six or seven membered heterocyclic ring that includes at least one nitrogen atom and at least one carbon atom. The ring additionally includes three, four or five atoms independently selected from carbon, nitrogen, sulfur and oxygen atoms. The heterocyclic ring has at least one substituent located at a ring position adjacent to a ring nitrogen atom. This mandatory substituent of the ring includes a moiety (B), linked to the heterocyclic ring via a carbon-carbon double bond, a carbon-carbon triple bond or an azo group. The mandatory substituent is positioned adjacent to the ring nitrogen atom. Invention compounds are capable of a wide variety of uses. For example heterocyclic compounds can act to modulate physiological processes by functioning as agonists and antagonists of receptors in the nervous system. Invention compounds may also act as insecticides, and as fungicides. Pharmaceutical compositions containing invention compounds also have wide utility.

  根据本发明，提供了一类新型的杂环化合物。该发明的化合物包含一个取代的、不饱和的五、六或七元杂环环，其中至少包含一个氮原子和至少一个碳原子。该环另外包括三、四或五个独立选择的碳、氮、硫和氧原子。杂环环在至少一个邻近环氮原子的环位置上具有至少一个取代基。该环的强制性取代基包括一个通过碳-碳双键、碳-碳三键或偶氮基与杂环环相连的基团（B）。强制性取代基位于环氮原子的邻近位置。本发明的化合物能够具有各种用途。例如，杂环化合物可以通过作为神经系统受体的激动剂和拮抗剂来调节生理过程。本发明的化合物也可以作为杀虫剂和杀菌剂。含有本发明化合物的药物组合物也具有广泛的用途。
• Thiazolyl(pyridyl)ethyne compounds
  申请人：Merck & Co., Inc.

  公开号：US06774138B2

  公开（公告）日：2004-08-10

  In accordance with the present invention, there is provided a novel class of heterocyclic compounds. Compounds of the invention contain a substituted, unsaturated five, six or seven membered heterocyclic ring that includes at least one nitrogen atom and at least one carbon atom. The ring additionally includes three, four or five atoms independently selected from carbon, nitrogen, sulfur and oxygen atoms. The heterocyclic ring has at least one substituent located at a ring position adjacent to a ring nitrogen atom. This mandatory substituent of the ring includes a moiety (B), linked to the heterocyclic ring via a carbon-carbon double bond, a carbon-carbon triple bond or an azo group. The mandatory substituent is positioned adjacent to the ring nitrogen atom. Invention compounds are capable of a wide variety of uses. For example heterocyclic compounds can act to modulate physiological processes by functioning as agonists and antagonists of receptors in the nervous system. Invention compounds may also act as insecticides, and as fungicides. Pharmaceutical compositions containing invention compounds also have wide utility.

  根据本发明，提供了一类新型的杂环化合物。该发明的化合物包含一个取代的、不饱和的五、六或七元杂环环，其中至少包含一个氮原子和至少一个碳原子。该环另外包括三、四或五个独立选择的碳、氮、硫和氧原子。杂环环至少有一个取代基位于邻近环氮原子的环位置。该环的强制性取代基包括一个通过碳-碳双键、碳-碳三键或偶氮基与杂环环连接的基团（B）。强制性取代基位于环氮原子的邻近位置。发明的化合物能够具有各种用途。例如，杂环化合物可以通过作为神经系统受体的激动剂和拮抗剂来调节生理过程。发明的化合物也可以作为杀虫剂和杀菌剂。含有发明化合物的药物组合物也具有广泛的用途。
• Pyridazine, pyrimidine and pyrazine ethyne compounds
  申请人：Cosford D. Nicholas

  公开号：US20050043307A1

  公开（公告）日：2005-02-24

  In accordance with the present invention, there is provided a novel class of heterocyclic compounds. Compounds of the invention contain a substituted, unsaturated five, six or seven membered heterocyclic ring that includes at least one nitrogen atom and at least one carbon atom. The ring additionally includes three, four or five atoms independently selected from carbon, nitrogen, sulfur and oxygen atoms. The heterocyclic ring has at least one substituent located at a ring position adjacent to a ring nitrogen atom. This mandatory substituent of the ring includes a moiety (B), linked to the heterocyclic ring via a carbon-carbon double bond, a carbon-carbon triple bond or an azo group. The mandatory substituent is positioned adjacent to the ring nitrogen atom. Invention compounds are capable of a wide variety of uses. For example heterocyclic compounds can act to modulate physiological processes by functioning as agonists and antagonists of receptors in the nervous system. Invention compounds may also act as insecticides, and as fungicides. Pharmaceutical compositions containing invention compounds also have wide utility.

  根据本发明，提供了一类新型的杂环化合物。该发明的化合物包含一个取代的、不饱和的五、六或七元杂环环，其中至少包含一个氮原子和至少一个碳原子。该环另外包括三、四或五个独立选择的碳、氮、硫和氧原子。杂环环至少有一个取代基位于邻近环氮原子的环位置。该环的强制性取代基包括一个通过碳-碳双键、碳-碳三键或偶氮基与杂环环连接的基团（B）。强制性取代基位于环氮原子的邻近位置。本发明的化合物能够广泛用于各种用途。例如，杂环化合物可以通过作为神经系统受体的激动剂和拮抗剂来调节生理过程。本发明的化合物也可以作为杀虫剂和杀菌剂。含有本发明化合物的药物组合物也具有广泛的用途。
• Inhibitors of VEGF receptor and HGF receptor signaling
  申请人：Saavedra Mario Oscar

  公开号：US20070004675A1

  公开（公告）日：2007-01-04

  The invention relates to the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention provides compounds and methods for inhibiting VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions

  该发明涉及抑制VEGF受体信号和HGF受体信号。该发明提供了抑制VEGF受体信号和HGF受体信号的化合物和方法。该发明还提供了治疗细胞增殖性疾病和病况的组合物和方法。
• Inhibitors of protein tyrosine kinase activity
  申请人：Raeppel Stephane

  公开号：US20080004273A1

  公开（公告）日：2008-01-03

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling and HGF receptor signaling. More particularly, the invention relates to compounds, compositions and methods for the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  这项发明涉及抑制蛋白酪氨酸激酶活性的化合物。具体而言，该发明涉及抑制生长因子受体蛋白酪氨酸激酶活性的化合物，导致受体信号传导的抑制，例如抑制VEGF受体信号传导和HGF受体信号传导。更具体地，该发明涉及用于抑制VEGF受体信号传导和HGF受体信号传导的化合物、组合物和方法。该发明还提供了用于治疗细胞增殖性疾病和病况的组合物和方法。