2,3-dichloromethylthiophene | 194161-69-8

• 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: 2,3-dichloromethylthiophene
• 英文别名: 2,3-bis-chloromethyl-thiophene；2,3-bis(chloromethyl)thiophene
• CAS: 194161-69-8
• 化学式: C₆H₆Cl₂S
• mdl: MFCD18451487
• 分子量: 181.086
• InChiKey: HIFOOTCDYPUYIK-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：

  2,3-dichloromethylthiophene 在 盐酸 、 正丁基锂 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.17h， 生成 (S)-2-Amino-3-[3-((S)-2-amino-2-methoxycarbonyl-ethyl)-thiophen-2-yl]-propionic acid methyl ester
  参考文献：
  名称：

  Stereoselective Synthesis of Thiophenedimethyl- and Benzenedimethyl- alpha,alpha'-Bridged Bis(glycines).

  摘要：

  Conformationally constrained cystine analogues have been synthesized which have an all-carbon backbone-chain as a bridge between the alpha,alpha'-positions in two glycine units. An aromatic ring consisting of a 1,2-disubstituted benzene or a 2,3- and 2,5-disubstituted thiophene has been inserted into the bridge. Chiral auxiliaries were used to effect stereoselective syntheses of the (S,S)-bis(amino acids). The latter were further derivatized as Fmoc-derivatives suitable for peptide syntheses. The product 2,3-bis[(2R,5S)-(2,5-dihydro-3,6-dimethoxy- 2-isopropyl-5-pyrazinyl)methyl]-5-methylthiophene has been subjected to X-ray analysis.

  DOI：

  10.3891/acta.chem.scand.51-0392
• 作为产物：
  描述：

  2,3-bis(hydroxymethyl)thiophene 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 生成 2,3-dichloromethylthiophene
  参考文献：
  名称：

  Synthesis of Mono- and Bisadducts of Thieno-o-quinodimethane with C₆₀ for Efficient Polymer Solar Cells

  摘要：

  A series of mono- and bisadducts of thieno-o-quinodimethane with C-60 (TOQC) was efficiently prepared through the Diels-Alder reaction of pristine or solubilizing side-chain-substituted 2,3-bis(chloromethyl)thiophene with C-60. The pristine TOQC bisadduct (bis-TOQC) shows much higher performance than the side-chain-substituted TOQC bisadducts in polymer solar cells, while the situation is inverse for the TOQC monoadducts. The best power conversion efficiency of 5.1% was achieved from the bis-TOQC:P3HT solar cells under simulated AM1.5G irradiation (86 mW/cm(2)).

  DOI：

  10.1021/ol3002392

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。
• 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。
• Synthetic polymeric adsorbents and ion exchange resins, their production and processes using them
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0007792A1

  公开（公告）日：1980-02-06

  Synthetic polymeric adsorbents are produced from lightly crosslinked macroreticular aromatic copolymer beads by post crosslinking the copolymer beads while in a swollen state, the crosslinks resulting from the post-crosslinking comprising the residue of external crosslinker selected from polyfunctional alkylating agent, polyfunctional acylating agent and sulfur halide. A Friedel-Crafts catalyst may be used for the post-crosslinking. The adsorbents may be functionalized to produce ion exchange resins. The adsorbents are generally useful in processes for removing components from fluids by adsorption, particularly in adsorbing organic components from liquid or gas streams. The ion exchange resins are useful not only in ion exchange processes in general but may also be useful as catalysts.

  合成聚合物吸附剂是由轻度交联的大网状芳香族共聚物珠子在溶胀状态下通过后交联制成的，后交联产生的交联包括外部交联剂的残留物，外部交联剂选自多官能团烷基化剂、多官能团酰化剂和卤化硫。后交联可使用 Friedel-Crafts 催化剂。可对吸附剂进行官能化处理，以生产离子交换树脂。这些吸附剂通常可用于通过吸附从流体中去除成分的工艺，特别是用于吸附液流或气流中的有机成分。离子交换树脂不仅可用于一般的离子交换工艺，还可用作催化剂。
• Polymer beads containing vinylbenzyl alcohol units, their production, processes for thermally crosslinking them, the thermally crosslinked beads and adsorbents and ion exchange resin formed therefrom
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0007791A1

  公开（公告）日：1980-02-06

  Polymer beads containing at least 0.5 percent by weight vinylbenzyl alcohol units may be thermally crosslinked by heating during or after the formation reaction thereof in the presence of a free radical initiator, such that alpha-hydroxy benzylic methylene and/or benzyloxy crosslinks are formed between aromatic rings of the vinylbenzyl alochol units, and/or between the vinylbenzyl alcohol units and other active sites in the polymer. The Production of the thermally crosslinkable addition polymers may be carried out directly from vinylbenzyl alcohol monomer and at least one other monomer, or indirectly by hydrolysis of vinylbenzyl chloride during the polymer formation. The crosslinked products are useful as adsorbents, hydrogels and as intermediates in the preparation of other adsorbents and ion exchange resins. The invention extends to the polymer beads containing vinylbenzyl alcohol units, their production, processes for thermally crosslinking them, the thermally crosslinked beads and adsorbents and ion exchange resins formed therefrom.

  含有至少 0.5%（重量）乙烯基苄醇单元的聚合物微珠可在自由基引发剂存在下，在其形成反应期间或之后通过加热进行热交联，从而在乙烯基苄醇单元的芳香环之间和/或乙烯基苄醇单元与聚合物中的其他活性位点之间形成α-羟基苄基亚甲基和/或苄氧基交联。热交联加成聚合物的生产可以直接从乙烯基苄醇单体和至少一种其他单体中进行，也可以在聚合物形成过程中通过乙烯基苄基氯的水解间接进行。交联产品可用作吸附剂、水凝胶以及制备其他吸附剂和离子交换树脂的中间体。本发明涉及含有乙烯基苄醇单元的聚合物珠、其生产、热交联工艺、热交联珠以及由其形成的吸附剂和离子交换树脂。