ethyl 2-(5-bromo-2-thienyl)acetate | 132526-28-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: ethyl 2-(5-bromo-2-thienyl)acetate
• 英文别名: ethyl 5-bromo-2-thienylacetate；(5-bromo-thiophen-2-yl)-acetic acid ethyl ester；ethyl (5-bromo-2-thienyl)acetate；ethyl 2-bromothiophene-5-acetate；ethyl 2-(5-bromothiophen-2-yl)acetate
• CAS: 132526-28-4
• 化学式: C₈H₉BrO₂S
• 分子量: 249.128
• InChiKey: KSIFJWDTXHYGDX-UHFFFAOYSA-N

物化性质

• 沸点：
  280.4±25.0 °C(Predicted)
• 密度：
  1.515±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-(5-bromo-2-thienyl)acetate 在 氢氧化钾 、 四氯化锡 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 38.0h， 生成 3-acetyl-5-bromo(2-thienyl)acetic acid
  参考文献：
  名称：

  Jackson, P. Mark; Moody, Christopher J.; Shah, Pritom, Journal of the Chemical Society. Perkin transactions I, 1990, # 11, p. 2909 - 2918

  摘要：

  DOI：
• 作为产物：
  描述：

  2-噻吩乙酸乙酯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 ethyl 2-(5-bromo-2-thienyl)acetate
  参考文献：
  名称：

  Pyrrolo[3,2-b]pyrrole-Based Copolymers as Donor Materials for Organic Photovoltaics

  摘要：

  制备了一种新的受体单元吡咯并[3,2-b]吡咯-2,5-二酮，并将其用于合成含有电子供体-受体对的OPV共轭聚合物。吡咯并[3,2-b]吡咯-2,5-二酮单元是已知吡咯并[3,4-c]吡咯-1,4-二酮的区域异构体，源自稳定的合成颜料的结构。采用Suzuki聚合法合成了1,4-二苯基吡咯并[3,2-b]吡咯-2,5-二酮、噻吩和咔唑的新型共轭聚合物，生成P1和P2。 P1和P2的固体膜显示出吸收带，最大峰在约377、554和374、542 nm处，吸收起始点在670和674 nm处，分别对应于1.85和1.84 eV的带隙。为了提高我们之前报道的具有1,4-双(4-丁基苯基)-吡咯并[3,2-b]-吡咯-2,5-二酮单元的聚合物的空穴迁移率，在N-取代苯基的4位被氢和甲基取代。 P2的场效应空穴迁移率为$9.6{\times}10^{-5}cm^2/Vs$。具有 $P2:PC_{71}BM$ (1:2) 的设备显示 $V_{OC}$ 值为 0.84 V，$J_{SC }$ 值为 5.10 $mA/cm^2$，FF 为 0.33，PCE 为 1.42%。

  DOI：

  10.5012/bkcs.2013.34.11.3399

文献信息

• BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL
  申请人：Kuo Gee-Hong

  公开号：US20070244094A1

  公开（公告）日：2007-10-18

  The invention is directed to compounds of Formula (I) useful as PPAR agonists. Pharmaceutical compositions and methods of treating one or more conditions including, but not limited to, diabetes, nephropathy, neuropathy, retinopathy, polycystic ovary syndrome, hypertension, ischemia, stroke, irritable bowel disorder, inflammation, cataract, cardiovascular diseases, Metabolic X Syndrome, hyper-LDL-cholesterolemia, dyslipidemia (including hypertriglyceridemia, hypercholesterolemia, mixed hyperlipidemia, and hypo-HDL-cholesterolemia), atherosclerosis, obesity, and other disorders related to lipid metabolism and energy homeostasis complications thereof, using compounds of the invention are also described.

  该发明涉及一种化合物，其化学式为（I），可用作PPAR激动剂。还描述了使用该发明的化合物治疗糖尿病、肾病、神经病、视网膜病变、多囊卵巢综合征、高血压、缺血、中风、肠易激综合征、炎症、白内障、心血管疾病、代谢X综合征、高LDL胆固醇血症、血脂异常（包括高甘油三酯血症、高胆固醇血症、混合性高脂血症和低HDL胆固醇血症）、动脉粥样硬化、肥胖以及其他与脂质代谢和能量稳态并发症相关的疾病的药物组合物和治疗方法。
• Non-glycosylated/-glycosidic/-peptidic small molecule selectin inhibitors for the treament of inflammatory disorders
  申请人：Revotar Biopharmaceuticals AG

  公开号：EP1577289A1

  公开（公告）日：2005-09-21

  The compounds having the general structure of formula (I) wherein the symbols, indices and substituents have the following meaning if R2=OH and R3=H then R1=H, CN, NO2, CF3, F, Cl, Br, I, CH3 or if R3=OH and R2=H then R1=H, CN, NO2, CF3, F, Cl, Br, I, CH3, Et, n-Pr, i-Pr, n-Bu, i-Bu, t-Bu, phenyl, thienyl, furyl, thiazolyl or if R3=OH and R1=H then R2=H, CN, NO2, CF3, F, Cl, Br, I, CH3, Et, n-Pr, i-Pr, n-Bu, t-Bu, phenyl, thienyl, furyl, thiazolyl then X is e.g.    with R4 being H, CH3, CH2CH3 or or    and Y being or and the pharmaceutically acceptable salts, esters or amides and prodrugs of the above identified compounds of formula (I). The compounds are applied to modulate the in-vitro and in-vivo binding processes mediated by E-, P- or L-selectin binding.

  具有通式（I）的化合物中，符号、指数和取代基的含义如下： 如果R2=OH且R3=H，则R1=H、CN、NO2、CF3、F、Cl、Br、I、CH3或 如果R3=OH且R2=H，则R1=H、CN、NO2、CF3、F、Cl、Br、I、CH3、Et、n-Pr、i-Pr、n-Bu、i-Bu、t-Bu、苯基、噻吩基、呋喃基、噻唑基或 如果R3=OH且R1=H，则R2=H、CN、NO2、CF3、F、Cl、Br、I、CH3、Et、n-Pr、i-Pr、n-Bu、t-Bu、苯基、噻吩基、呋喃基、噻唑基 然后，X为例如，其中R4为H、CH3、CH2CH3或 或 而Y为 上述通式（I）的药物可接受的盐、酯或酰胺以及前药。这些化合物可用于调节E、P或L选择素结合介导的体外和体内结合过程。
• Novel aromatic compounds and their use in medical applications
  申请人：Revotar Biopharmaceuticals AG

  公开号：EP1764093A1

  公开（公告）日：2007-03-21

  Pharmaceutical compositions comprising at least one compound of the formulas (Ia) or (Ib) and a pharmaceutically acceptable carrier which is useful in a medicine wherein the symbols and substituents have the following meaning -X- is e.g. or or or and Y being or or the pharmaceutically acceptable salts, esters or amides and prodrugs of the above identified compounds of formulas (Ia) or (Ib). The compounds are applied to modulate the in-vitro and in-vivo binding processes mediated by E-, P- or L-selectin binding.

  含有至少一个式(Ia)或(Ib)化合物和一种药用载体的制药组合物，在药物中有用，其中符号和取代基的含义如下-X-为例如或或或和Y为或或上述式(Ia)或(Ib)化合物的药用盐、酯或酰胺以及前药。这些化合物用于调节由E-、P-或L-选择素结合介导的体外和体内结合过程。
• Pyrrolo[3,2-b]pyrrole-Based Copolymers as Donor Materials for Organic Photovoltaics
  作者：Suhee Song、Seo-Jin Ko、Hyunmin Shin、Youngeup Jin、Il Kim、Jin Young Kim、Hongsuk Suh

  DOI：10.5012/bkcs.2013.34.11.3399

  日期：2013.11.20

  A new accepter unit, pyrrolo[3,2-b]pyrrole-2,5-dione, was prepared and utilized for the synthesis of the conjugated polymers containing electron donor-acceptor pair for OPVs. Pyrrolo[3,2-b]pyrrole-2,5-dione unit, regioisomer of the known pyrrolo[3,4-c]pyrrole-1,4-dione, is originated from the structure of stable synthetic pigment. The new conjugated polymers with 1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione, thiophene and carbazole were synthesized using Suzuki polymerization to generate P1 and P2. The solid films of P1 and P2 show absorption bands with maximum peaks at about 377, 554 and 374, 542 nm and the absorption onsets at 670 and 674 nm, corresponding to band gaps of 1.85 and 1.84 eV, respectively. To improve the hole mobility of the polymer with 1,4-bis(4-butylphenyl)-pyrrolo[3,2-b]-pyrrole-2,5-dione unit, which was previously reported by us, the butyl group at the 4-positions of the N-substituted phenyl group was substituted with hydrogen and methyl group. The field-effect hole mobility of P2 is $9.6\times}10^-5}cm^2/Vs$. The device with $P2:PC_71}BM$ (1:2) showed $V_OC}$ value of 0.84 V, $J_SC}$ value of 5.10 $mA/cm^2$, and FF of 0.33, giving PCE of 1.42%.

  制备了一种新的受体单元吡咯并[3,2-b]吡咯-2,5-二酮，并将其用于合成含有电子供体-受体对的OPV共轭聚合物。吡咯并[3,2-b]吡咯-2,5-二酮单元是已知吡咯并[3,4-c]吡咯-1,4-二酮的区域异构体，源自稳定的合成颜料的结构。采用Suzuki聚合法合成了1,4-二苯基吡咯并[3,2-b]吡咯-2,5-二酮、噻吩和咔唑的新型共轭聚合物，生成P1和P2。 P1和P2的固体膜显示出吸收带，最大峰在约377、554和374、542 nm处，吸收起始点在670和674 nm处，分别对应于1.85和1.84 eV的带隙。为了提高我们之前报道的具有1,4-双(4-丁基苯基)-吡咯并[3,2-b]-吡咯-2,5-二酮单元的聚合物的空穴迁移率，在N-取代苯基的4位被氢和甲基取代。 P2的场效应空穴迁移率为$9.6\times}10^-5}cm^2/Vs$。具有 $P2:PC_71}BM$ (1:2) 的设备显示 $V_OC}$ 值为 0.84 V，$J_SC }$ 值为 5.10 $mA/cm^2$，FF 为 0.33，PCE 为 1.42%。
• 2-Amino Quinazoline Derivative
  申请人：Nakasato Yoshisuke

  公开号：US20070225308A1

  公开（公告）日：2007-09-27

  The present invention provides a compound represented by Formula (I) (wherein R 1 and R 2 are the same or different, and each represents a hydrogen atom, substituted or unsubstituted lower alkyl and the like, R 3 represents substituted or unsubstituted aryl, a substituted or unsubstituted aromatic heterocyclic group and the like, R 4 and R 5 are the same or different, and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl and the like, proviso that they are not simultaneously hydrogen atoms, and R 6 represents hydroxy or substituted or unsubstituted lower alkoxy), or a pharmaceutically acceptable salt thereof and the like.

  本发明提供了一种由式（I）表示的化合物（其中R1和R2相同或不同，分别表示氢原子，取代或未取代的低级烷基等，R3表示取代或未取代的芳基，取代或未取代的芳香族杂环基等，R4和R5相同或不同，分别表示氢原子，卤素，取代或未取代的低级烷基，取代或未取代的芳基等，但它们不能同时是氢原子，R6表示羟基或取代或未取代的低级烷氧基），或其药学上可接受的盐等。