3-dichloromethylthiophene | 127840-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 3-dichloromethylthiophene
• 英文别名: 3-(dichloromethyl)thiophene
• CAS: 127840-28-2
• 化学式: C₅H₄Cl₂S
• 分子量: 167.059
• InChiKey: NYTVKFHUEKVQGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3-二甲基-2-丁烯 、 3-dichloromethylthiophene 在 potassium tert-butylate 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以63%的产率得到1-chloro-1-(thiophen-3-yl)-2,2,3,3-tetramethylcyclopropane
  参考文献：
  名称：

  Baird, Mark S.; Bruce, Ian, Journal of Chemical Research, Miniprint, 1989, # 12, p. 2872 - 2893

  摘要：

  DOI：
• 作为产物：
  描述：

  3-噻吩甲醛 在 五氯化磷 作用下， 以 水 为溶剂， 以82%的产率得到3-dichloromethylthiophene
  参考文献：
  名称：

  Process for opening cyclopropane rings

  摘要：

  使用有机溶剂和硅胶，在化合物的环上打开环的过程中，通过断裂连接R.sup.3和R.sup.6的碳原子之间的键，并得到有用的二烯或烯丙基衍生物，其中R.sup.1是杂环烷基或芳基，R.sup.2是离去基团，R.sup.3、R.sup.4、R.sup.5和R.sup.6分别独立地选自氢、烷基、芳基烷基、芳基、杂环烷基和烯基，前提是R.sup.3到R.sup.6中至少有一个不是氢，其中一些是新颖的。

  公开号：

  US05126461A1

文献信息

• [EN] ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS FUSIONNÉS D'ACIDE CYCLOPENTANE-CARBOXYLIQUE À SUBSTITUTION ACYLAMINO, ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：SANOFI AVENTIS

  公开号：WO2009135590A1

  公开（公告）日：2009-11-12

  The present invention relates to compounds of the formula (I), wherein A, Y, Z, R3 to R6, R20 to R22 and R50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use and pharmaceutical compositions comprising them.

  本发明涉及具有式(I)的化合物，其中A，Y，Z，R3至R6，R20至R22和R50具有权利要求中指出的含义，它们是有价值的药物活性化合物。具体而言，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体可被溶血磷脂酸（LPA）激活，也被称为LPA1受体，并且可用于治疗例如动脉粥样硬化、心肌梗死和心力衰竭等疾病。本发明还涉及制备式(I)化合物的方法、它们的使用以及包含它们的药物组合物。
• Unexpected rearrangement during the gas-phase dehalogenation approach to benzodithiophenes
  作者：R. Alan Aitken、Adebayo O. Oyewale

  DOI：10.1039/c4ra15004j

  日期：——

  As well as the expected dehalogenative coupling products, isomers are formed via a novel radical process.

  除了预期的去卤代偶联产物外，还通过一种新颖的自由基过程形成了异构体。
• Diazirine derivatives of aromatic heterocyclic compounds
  申请人：Shell Research Limited

  公开号：US05120861A1

  公开（公告）日：1992-06-09

  Compounds of the formula ##STR1## in which Het represents an optionally substituted aromatic heterocycle having a sulphur or oxygen hetero atom and attached via a ring carbon atom, and X is halogen, alkyl, alkaryl, cyano, alkoxy, mono- or di-alkylamino, acyloxy or aryl, are useful intermediates to a range of cyclopropane derivatives. Processes for their preparation and their use in further synthetic processes are also described.

  式为##STR1##的化合物中，Het代表一个可选择地取代的含有硫或氧杂原子的芳香杂环，通过环中的碳原子连接，X为卤素、烷基、烷基芳基、氰基、烷氧基、单烷基或二烷基氨基、酰氧基或芳基，对于一系列环丙烷衍生物是有用的中间体。还描述了它们的制备过程及在进一步合成过程中的用途。
• Heterocyclic metallocenes and polymerization catalysts
  申请人：Ewen A. John

  公开号：US20050192418A1

  公开（公告）日：2005-09-01

  A new class of heterocyclic metallocenes, a catalytic system containing them and a process for polymerizing addition polymerizable monomers using said catalytic system are disclosed; the heterocyclic metallocenes correspond to the formula (I): Y j R″ i Z jj MeQ k P l wherein Y is a coordinating group containing a six π electron central radical directly coordinatng Me, to which are associated one or more radicals containing at least one non-carbon atom selected from B, N, O, Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb and Te; R″ is a divalent bridge between the Y and Z groups; Z is a coordinating group, optionally being equal to Y; Me is a transition metal; Q is halogen or hydrocarbon substituents; P is a counterion; i os 0 or 1; j is 1-3; jj is 0-2; k is 1-3; and l is 0-2.

  本发明公开了一种新型杂环金属茂，一种包含它们的催化体系以及使用所述催化体系聚合加成聚合物单体的方法；所述杂环金属茂对应于式（I）：YjR″iZjjMeQkPl，其中Y是一个配位基团，包含一个直接配位于Me的六π电子中心基团，与之关联的是至少一个含有至少一个非碳原子的基团，所述非碳原子选自B、N、O、Al、Si、P、S、Ga、Ge、As、Se、In、Sn、Sb和Te；R″是Y和Z基团之间的二价桥；Z是一个配位基团，可选地等于Y；Me是一个过渡金属；Q是卤素或碳氢取代基；P是一个反离子；i为0或1；j为1-3；jj为0-2；k为1-3；l为0-2。
• ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：SCHAEFER Matthias

  公开号：US20110152290A1

  公开（公告）日：2011-06-23

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R 3 to R 6 , R 20 to R 22 and R 50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA 1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及式I的化合物，其中A、Y、Z、R3至R6、R20至R22和R50具有所述权利要求中指示的含义，这些化合物是有价值的药物活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也称为LPA1受体，可用于治疗动脉粥样硬化、心肌梗塞和心力衰竭等疾病。本发明还涉及制备式I化合物的方法、它们的用途以及包含它们的药物组合物。