6-(diethylamino)-1-benzofuran-2-carboxylic acid | 52664-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 6-(diethylamino)-1-benzofuran-2-carboxylic acid
• 英文别名: 6-diethylaminobenzo[b]furan-2-carboxylic acid
• CAS: 52664-54-7
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: HBLWEEAIUKUJAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  53.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲基丙烯酸羟乙酯 、 6-(diethylamino)-1-benzofuran-2-carboxylic acid 在 4-吡咯烷基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以70%的产率得到benzofuran-2-carboxylic acid 2-(2-methylacryloyloxy)ethyl ester
  参考文献：
  名称：

  Synthesis and Polymerisation of Novel Methacrylates with Carbazolyl and Benzofuranyl Pendant Groups for Photovoltaic Applications

  摘要：

  This article reports properties of photovoltaic devices containing new donor materials - copolymers referred as PCEMB, composed of 2-(carbazol-9-yl)ethyl methacrylate (CEM) and benzofuran-2-carboxylic acid 2-(2-methylacryloyloxy)ethyl ester (MB). Manufactured photovoltaic cells consisted of donor and acceptor (PBT or P3OT) layers sandwiched between ITO covered glass and evaporated aluminum electrode. Performance of the cell was optimized for a copolymer composed of 8% CEM and 92% MB. The efficiency, found equal c.a. eta = 0,03%, was low comparing to other photovoltaic cells reported in the literature. However, following the observed tendencies, it can be supposed that there exists a large reserve for the enhancement of the open circuit voltage through further chemical modifications of the chromophore.In the case of the PDT containing cells, measured Uoc was substantially lower. This fact may be attributed to difference in carrier mobility between this polymer and PCEMB. Simultaneously, the larger sizes of the MB molecule may favor separation of the charges and leads to enhancement of the corresponding voltage.

  DOI：

  10.1080/15421400801904732
• 作为产物：
  描述：

  methyl 6-(diethylamino)-1-benzofuran-2-carboxylate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 6-(diethylamino)-1-benzofuran-2-carboxylic acid
  参考文献：
  名称：

  [EN] ACYL SULFONAMIDES FOR TREATING CANCER
  [FR] ACYLSULFONAMIDES POUR LE TRAITEMENT DU CANCER

  摘要：

  本发明提供了一般式(I)的酰基磺酰胺化合物：其中X、R1、R2、R3、R4、R5、R6、Ra和Rb如本文所述和定义的那样，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗或预防过度增殖性疾病的药物组合物，作为唯一药剂或与其他活性成分结合使用，以及治疗和/或预防疾病的方法，特别是癌症，更特别是KAT6A和/或KAT6B在局部扩增的癌症，所述方法包括向需要的受试者施用至少一种式(I)化合物的有效量。

  公开号：

  WO2020216701A1

文献信息

• Linear basic compounds having nk-2 antagonist activity and formulations thereof
  申请人：——

  公开号：US20040259930A1

  公开（公告）日：2004-12-23

  Described herein are compounds of formula (I) useful as antagonists of tachykinins in general, and in particular of neurokinin A; and the pharmaceutical formulations comprising the compounds of formula (I) 1

  本文描述了式（I）化合物，可作为缓激肽拮抗剂，特别是神经激肽A的拮抗剂，并且包括含有式（I）化合物的药物制剂。
• LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF
  申请人：Malesci Istituto Farmacobiologico S.p.A.

  公开号：EP1442050B1

  公开（公告）日：2006-09-13
• ACYL SULFONAMIDES FOR TREATING CANCER
  申请人：Bayer Aktiengesellschaft

  公开号：US20220226279A1

  公开（公告）日：2022-07-21

  The present invention provides acyl sulfonamide compounds of general formula (I): in which X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6′ R a and R b are as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative disorders, as a sole agent or in combination with other active ingredients as well as methods of treating and/or prophylaxing diseases, particularly cancer, more particularly cancer in which KAT6A and/or KAT6B is focally amplified, said method comprising administering an effective amount of at least one compound of formula (I) to a subject in need thereof.
• US3932446A
  申请人：——

  公开号：US3932446A

  公开（公告）日：1976-01-13
• US7273856B2
  申请人：——

  公开号：US7273856B2

  公开（公告）日：2007-09-25