4-溴-5-乙基-2-噻吩羧醛 | 36880-34-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 4-溴-5-乙基-2-噻吩羧醛
• 中文别名: 4-溴-5-乙基噻吩-2-甲醛
• 英文名称: 4-bromo-5-ethylthiophene-2-carbaldehyde
• 英文别名: 3-bromo-2-ethyl-5-formylthiophene；4-bromo-5-ethyl-thiophene-2-carbaldehyde；3-Brom-2-ethyl-5-formylthiophen
• CAS: 36880-34-9
• 化学式: C₇H₇BrOS
• mdl: MFCD01118660
• 分子量: 219.102
• InChiKey: BZWLZUAFDWILCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  279.7±40.0 °C(Predicted)
• 密度：
  1.569±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-溴-5-乙基-2-噻吩羧醛 在 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 19.0h， 生成 1,2-bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocycloent-1-ene
  参考文献：
  名称：

  Synthesis, crystal structure and characterization of photochromic 1,2-bis{2-ethyl-5-[2-(1,3-dioxolane)]-3-thienyl}perfluorocyclopentene

  摘要：

  A novel photochromic diarylethene, 1,2-bis{2-ethyl-5-[2-(1,3-dioxolane)1-3-thienyllperfluorocyclopentene (BEDTP), was synthesized and its structure was determined by single-crystal X-ray diffraction analysis. Its photochromic and fluorescent properties were also investigated. The results showed that this compound exhibited reversible photochromism, changing from colorless to magenta after irradiation with UV light both in solution and in the crystalline phase. In hexane solution, the open-ring isomer of BEDTP exhibited relatively strong fluorescence at 400 nm when excited at 282 nm. The fluorescence intensity decreased along with the photochromism upon irradiation with 254 nm light and its closed-ring isomer showed almost no fluorescence. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2006.03.014
• 作为产物：
  描述：

  5-乙基-2-噻吩甲醛 在 溴 作用下， 以 溶剂黄146 为溶剂， 以73.3%的产率得到4-溴-5-乙基-2-噻吩羧醛
  参考文献：
  名称：

  1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a photochromic dithienylethene

  摘要：

  The title compound, C23H22F6O4S2, a photochromic dithienylethene, is a promising material for optical storage and other optoelectrical devices. The molecule adopts a photoactive antiparallel conformation in the crystalline state. The distance between the two reactive C atoms which are involved in potential ring closure is 3.829 (4) angstrom. The dihedral angles between the central cyclopentene ring and the adjacent thiophene rings are 55.38 (7) and 54.81 (9)degrees. The colourless crystals turn magenta when exposed to UV radiation and the process is reversible.

  DOI：

  10.1107/s0108270105025758

文献信息

• PHENYL-OXAZOLYL DERIVATIVES, PREPARATION METHOD THEREOF, AND RELATED APPLICATION OF THE PHENYL-OXAZOLYL DERIVATIVES AS AN IMPDH INHIBITOR
  申请人：INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES

  公开号：US20150031686A1

  公开（公告）日：2015-01-29

  Disclosed are phenyl-oxazolyl derivatives having a general formula (I), a preparation method thereof, and an application of the phenyl-oxazolyl derivatives as an inosine monophosphate dehydrogenase (IMPDH) inhibitor.

  揭示了具有一般式（I）的苯基-噁唑基衍生物，其制备方法以及将苯基-噁唑基衍生物作为肌醇单磷酸脱氢酶（IMPDH）抑制剂的应用。
• Organic Compounds
  申请人：Ehara Takeru

  公开号：US20090192148A1

  公开（公告）日：2009-07-30

  The invention relates to 3,5-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3,5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The compounds have the formula I′ wherein R1, R2, T, R3 and R4 areas defined in the specification.

  本发明涉及3,5-取代哌啶化合物，这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病（=失调）；该类化合物用于制备治疗依赖肾素活性疾病的制剂；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-取代哌啶化合物的制药配方和/或包括给予3,5-取代哌啶化合物的治疗方法，以及制造3,5-取代哌啶化合物的新型中间体和部分合成步骤。该化合物的式子为I'，其中R1、R2、T、R3和R4在规范中有定义。
• 3 , 5-substitued piperidine compounds as renin inhibitors
  申请人：Novartis AG

  公开号：EP2420491A1

  公开（公告）日：2012-02-22

  The invention relates to 3,5-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (= disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3, 5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The compounds (which can also be present as salts) have the formula I' wherein R1, R2, T, R3, R4, R7 and R8 are as defined in the specification and R6 is OH.

  本发明涉及3,5-取代的哌啶化合物，这些化合物用于温血动物的诊断和治疗，特别是用于治疗依赖于肾素活性的疾病（=紊乱）；使用该类化合物制备药物制剂，用于治疗依赖于肾素活性的疾病；该类化合物在治疗依赖于肾素活性的疾病中的用途；包含 3,5-取代的哌啶化合物的药物制剂，和/或包括施用 3,5-取代的哌啶化合物的治疗方法，3,5-取代的哌啶化合物的制造方法，及其合成的新型中间体和部分步骤。 这些化合物（也可以以盐的形式存在）具有式 I' 其中 R1、R2、T、R3、R4、R7 和 R8 如说明书中所定义，R6 为 OH。
• Substituted nitrogen-containing heterocyclic derivatives, pharmaceutical compositions comprising the same and applications of antitumor thereof
  申请人：ZHEJIANG UNIVERSITY

  公开号：US10233180B2

  公开（公告）日：2019-03-19

  Disclosed are new substituted nitrogen-containing heterocyclic derivatives represented by formula (I) as AKT inhibitors, optical isomers, pharmaceutically acceptable salts or solvates thereof, wherein the definition of R1, R2, R3, R4, R5, R6, ring A, ring C, B, Q, Y, Z and m is shown in the description for details. In addition, medicaments comprising the derivatives as active components are also disclosed, which can be useful for treating proliferative diseases, such as cancer and inflammation, especially diseases relating to AKT kinase.

  本发明公开了式(I)代表的作为AKT抑制剂的新取代含氮杂环衍生物、其光学异构体、药学上可接受的盐或溶液，其中R1、R2、R3、R4、R5、R6、环A、环C、B、Q、Y、Z和m的定义详见说明。此外，还公开了包含这些衍生物作为活性成分的药物，可用于治疗增殖性疾病，如癌症和炎症，尤其是与 AKT 激酶有关的疾病。
• [EN] SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND APPLICATIONS OF ANTITUMOR THEREOF<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES CONTENANT DE L'AZOTE SUBSTITUÉ, COMPOSITIONS PHARMACEUTIQUES EN COMPRENANT ET LEURS UTILISATIONS DANS LE CADRE DE LA LUTTE ANTITUMORALE<br/>[ZH] 取代氮杂环类衍生物、含其的药物组合物及其在抗肿瘤中的应用
  申请人：UNIV ZHEJIANG

  公开号：WO2015144021A1

  公开（公告）日：2015-10-01

  本发明公开了一类作为AKT抑制剂的新型取代氮杂环类衍生物，该化合物为式(Ⅰ)化合物及其光学异构体或其药学上可接受的盐或溶剂合物，R1、R2、R3、R4、R5、R6、环A、环C、B、Q、Y、Z、m的定义详见说明书。此外，本发明还公开了以其为活性成分的药物，可用于治疗增生性疾病如癌症及炎症类疾病等，特别是与AKT激酶有关的疾病。