3-噻吩-3-基-丁酸 | 1027889-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 3-噻吩-3-基-丁酸
• 英文名称: 3-(Thiophen-3-yl)butanoic acid
• 英文别名: 3-thiophen-3-ylbutanoic acid
• CAS: 1027889-67-3
• 化学式: C₈H₁₀O₂S
• 分子量: 170.232
• InChiKey: OBTNLSDHZLTLQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-噻吩-3-基-丁酸 在 三氯化铝 、 氯化亚砜 作用下， 以 二硫化碳 、 乙醚 为溶剂， 反应 7.0h， 生成 4-methyl-4,5-dihydro-6H-cyclopentathiophen-6-one
  参考文献：
  名称：

  Bridged Dithienylethylenes as Precursors of Small Bandgap Electrogenerated Conjugated Polymers

  摘要：

  Bridged dithienylethylenes (DTEs) bearing solubilizing alkyl chains at various positions (2-5) have been synthesized by McMurry dimerization of cyclopenta[b]thiophen-6-ones. In order to introduce alkyl substituents at different positions of the DTE molecule, the precursor ketones have been prepared by different strategies based on a combination of Mannich or Wittig-Horner reaction and Friedel-Craft intramolecular cyclization. The position and the length of the alkyl substituents exert a strong effect on the ability of the precursor to undergo electrochemical polymerization. Thus, whereas substitution at the alpha-position of the ethylene linkage (3) results in a rapid inhibition of electropolymerization, introduction of alkyl chains at the beta-position (4, 5) greatly improves the efficiency of the polymerization process. The analysis of the electrochemical and optical properties of the polymers shows that rigidification of the DTE molecule leads to a significant decrease of the oxidation potential and bandgap. A comparative analysis of DTE and its bridged analogues by means of X-ray diffraction reveals, in agreement with experimental and theoretical results, that the observed reduction of both the HOMO-LUMO gap of the precursor and the bandgap of the corresponding polymers are related to a relaxation of bond length alternation in the DTE moiety.

  DOI：

  10.1021/jo9623447
• 作为产物：
  描述：

  3-乙酰基噻吩 在 sodium hydroxide 、 sodium amalgam 、 正丁基锂 作用下， 以 乙醇 、 水 为溶剂， 反应 67.5h， 生成 3-噻吩-3-基-丁酸
  参考文献：
  名称：

  Bridged Dithienylethylenes as Precursors of Small Bandgap Electrogenerated Conjugated Polymers

  摘要：

  Bridged dithienylethylenes (DTEs) bearing solubilizing alkyl chains at various positions (2-5) have been synthesized by McMurry dimerization of cyclopenta[b]thiophen-6-ones. In order to introduce alkyl substituents at different positions of the DTE molecule, the precursor ketones have been prepared by different strategies based on a combination of Mannich or Wittig-Horner reaction and Friedel-Craft intramolecular cyclization. The position and the length of the alkyl substituents exert a strong effect on the ability of the precursor to undergo electrochemical polymerization. Thus, whereas substitution at the alpha-position of the ethylene linkage (3) results in a rapid inhibition of electropolymerization, introduction of alkyl chains at the beta-position (4, 5) greatly improves the efficiency of the polymerization process. The analysis of the electrochemical and optical properties of the polymers shows that rigidification of the DTE molecule leads to a significant decrease of the oxidation potential and bandgap. A comparative analysis of DTE and its bridged analogues by means of X-ray diffraction reveals, in agreement with experimental and theoretical results, that the observed reduction of both the HOMO-LUMO gap of the precursor and the bandgap of the corresponding polymers are related to a relaxation of bond length alternation in the DTE moiety.

  DOI：

  10.1021/jo9623447

文献信息

• BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS
  申请人：deLong Mitchell A.

  公开号：US20120196916A1

  公开（公告）日：2012-08-02

  Disclosed are beta and gamma-amino isoquinoline amide compounds and substituted benzamide compounds. In particular, the invention provides compounds that affect the function of kinases in a cell and that are useful as therapeutic agents or with therapeutic agents. The compounds of the invention are useful in the treatment of a variety of diseases and conditions including eye diseases such as glaucoma, cardiovascular diseases, and diseases characterized by abnormal growth, such as cancers. The invention further provides compositions containing the beta or gamma-amino isoquinoline amide compounds or substituted benzamide compounds.

  本发明公开了β和γ-氨基异喹啉酰胺化合物和取代苯甲酰胺化合物。特别地，本发明提供了能够影响细胞中激酶功能并且可用作治疗剂或与治疗剂一起使用的化合物。本发明的化合物可用于治疗各种疾病和病况，包括眼部疾病如青光眼，心血管疾病以及以异常生长为特征的疾病，如癌症。本发明还提供了含有β或γ-氨基异喹啉酰胺化合物或取代苯甲酰胺化合物的组合物。
• Electrodeposition process
  申请人：Manos D. Paul

  公开号：US20060037861A1

  公开（公告）日：2006-02-23

  The present invention is directed to an electrodeposition process for producing a coated substrate having improved properties. The electrodeposition process comprises coating a substrate with a liquid coating composition, immersing the substrate with the liquid coating composition in an electrodeposition bath, and applying an electrical current having a specified voltage to form an electrodeposition coating to the substrate. In a preferred embodiment, the electrical current is applied prior to immersing the coated substrate in the bath. The coating can further be etched to beneficially texture the surface of the coated substrate. The substrate coated with the process of the invention exhibits improved corrosion resistance, durability, lubricity, adhesion, as well as other favorable characteristics.

  本发明涉及一种用于生产具有改进性能的涂层基底的电沉积工艺。电沉积工艺包括用液态涂层组合物涂覆基底，将带有液态涂层组合物的基底浸入电沉积槽中，并施加具有特定电压的电流以在基底上形成电沉积涂层。在一个优选的实施方案中，电流是在将涂层基底浸入电镀槽之前施加的。涂层可以进一步蚀刻，以便对涂层基底的表面进行有益的纹理处理。采用本发明工艺涂覆的基材具有更好的耐腐蚀性、耐久性、润滑性、附着力以及其他有利特性。
• HYDROXAMIC ACID SUBSTITUTED FUSED HETEROCYCLIC METALLOPROTEINASE INHIBITORS
  申请人：AMGEN INC.

  公开号：EP1003751A1

  公开（公告）日：2000-05-31
• ELECTRODEPOSITION PROCESS
  申请人：Manos, Paul D.

  公开号：EP1802713A1

  公开（公告）日：2007-07-04
• US8759388B2
  申请人：——

  公开号：US8759388B2

  公开（公告）日：2014-06-24