3,4-bis(chloromethyl)thiophene | 18448-62-9

• 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: 3,4-bis(chloromethyl)thiophene
• CAS: 18448-62-9
• 化学式: C₆H₆Cl₂S
• mdl: MFCD18451784
• 分子量: 181.086
• InChiKey: HRLQHOSRQDOYMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 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：

  3,4-bis(chloromethyl)thiophene 在 四(二甲氨基)乙烯 作用下， 以 various solvent(s) 为溶剂， 反应 0.08h， 生成 3,4-二亚甲基噻吩
  参考文献：
  名称：

  Ground-state multiplicities of 3,4-dimethylenefuran and 3,4-dimethylenethiophene. Experimental tests of ab initio and semiempirical theories of heteroatom-bridged disjoint biradicals

  摘要：

  DOI：

  10.1021/ja00192a026
• 作为产物：
  描述：

  [4-(羟甲基)-3-噻吩基]甲醇 在 氯化亚砜 作用下， 生成 3,4-bis(chloromethyl)thiophene
  参考文献：
  名称：

  NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF

  摘要：

  本发明提供了一种含氮杂环化合物，其结构如式(I)所示，或者其立体异构体、溶剂化物、氘代物、 pharmaceutically 接受的盐、或其共晶，或含有该化合物的药物组合物，以及其用于制备治疗/预防自分泌因子介导的疾病的药物中的用途。式(I)中的每个基团如说明书中所定义。

  公开号：

  EP4074711A1

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。
• Synthesis of porphin analogues containing furan and/or thiophen rings
  作者：M. J. Broadhurst、R. Grigg、A. W. Johnson

  DOI：10.1039/j39710003681

  日期：——

  The preparation of 21-oxa, 21-thia-, 21,23-dioxa-, 21,23-dithia-, and 21-oxa-23-thia-porphins is described. These new porphin analogues have spectral properties similar to those of the porphins, which supports their formulation as aromtic macrocycles. Surprising basicity is displayed by 21,22- and 21,23-dioxaporphins and unusual mass spectra are produced by the oxaporphins. Only the 21-oxa- and 21-thia-porphins

  描述了21-氧杂，21-硫杂，21,23-二恶杂，21,23-二硫杂和21-氧-23-杂卟啉的制备。这些新的卟啉类似物具有类似于卟啉的光谱特性，这支持将它们配制成芳香性大环化合物。21,22-和21,23-二氧杂卟啉显示出令人惊讶的碱性，而氧杂吗啡产生异常的质谱。在形成金属卟啉的通常条件下，只有21-氧杂和21-硫杂形成金属配合物。报告了在新的大环化合物上进行氘交换研究的结果。
• 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。
• Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals
  申请人：Schaefer Matthias

  公开号：US08362073B2

  公开（公告）日：2013-01-29

  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.

  本发明涉及公式I的化合物，其中A，Y，Z，R3至R6，R20至R22和R50具有所述索引中指示的含义，它们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，对于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病有用。本发明还涉及制备公式I化合物的方法、它们的使用以及包含它们的药物组合物。