SQ-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: SQ-4
• 英文别名: (4E)-2-[(E)-(5-carboxy-1-ethyl-3,3-dimethylindol-2-ylidene)methyl]-4-[(1-ethyl-3,3-dimethylindol-1-ium-2-yl)methylidene]-3-oxocyclobuten-1-olate
• 化学式: C₃₁H₃₂N₂O₄
• 分子量: 496.606
• InChiKey: QHTHEPORDBBSAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  83.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  十二烷醇 、 SQ-4 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 以89%的产率得到
  参考文献：
  名称：

  用于电流产生系统的方酸结合的纤维素衍生物的制备。

  摘要：

  由6-O-（4-甲氧基三苯甲基）纤维素（1）通过三个反应步骤在77％的条件下制备具有SQ（DSSQ）取代度为0.55的与区域选择性方酸（SQ）结合的纤维素衍生物（4）。总产量。还制备了月桂基SQ羧酸盐（8）作为参考样品。与SQ-COOH（7）相比，化合物4的SQ部分在CHCl3中的光稳定性没有提高，但化合物8的SQ部分的光稳定性却出乎意料的提高。铟锡氧化物（ITO）电极上的Langmuir-Blodgett单层膜4B和8B分别由化合物4和8通过垂直浸渍法成功制备。膜4B和8B显示出在550-680nm范围内的光电流产生性能。膜4B在650nm处的量子产率高于膜8B。

  DOI：

  10.1016/j.carres.2015.12.002
• 作为产物：
  描述：

  、 5-carboxy-1-ethyl-2,3,3-trimethyl-3H-indol-1-ium iodide 以 甲苯 、 正丁醇 为溶剂， 反应 18.0h， 以350 mg的产率得到SQ-4
  参考文献：
  名称：

  Synthesis and characterization of squaric acid based NIR dyes for their application towards dye-sensitized solar cells

  摘要：

  Synthesis of novel cyan-colored sensitizing dyes bearing squaric acid core and 2,3,3-trimethyl-indole as terminal moieties has been conducted in order to fabricate dye-sensitized solar cells based on nanoporous TiO2. It has been found that position of COOH functionality utilized for anchoring with TiO2 surface has a marked effect on solar cell performance. Carboxylic acid group directly substituted to indole ring gave about 5-fold higher conversion efficiency as compared to the dye when it was substituted in alkyl chain of the indole ring. Efficiency has been found to be hampered due to aggregation and enhancement in the efficiency was observed when dyes were used with chenodeoxycholic acid (CDCA). Using COCA and long alkyl substituent at the N-position of indole ring to prevent aggregation and enhanced TiO2 surface passivation, respectively, has achieved a solar conversion efficiency of 3.15% with a short circuit current density of 7.26 mA/cm(2), an open circuit voltage of 0.64 V and a fill factor of 0.68 for SQ-5 under standard AM 1.5 solar irradiation. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.04.015
• 作为试剂：
  描述：

  三甲基碘化亚砜 、 sodium;hydride 、 4-[(4-Carboxy-3,3-dimethyl-1-octadecylindol-1-ium-2-yl)methylidene]-2-[(4-carboxy-3,3-dimethyl-1-octadecylindol-2-ylidene)methyl]-3-oxocyclobuten-1-olate 、 三苯基膦 、 四氢呋喃 在 水 、 乙酸乙酯 、 magnesium sulfate 、 crude product 、 SQ-4 作用下， 以 二甲基亚砜 为溶剂， 反应 17.0h， 生成 SQ-4
  参考文献：
  名称：

  19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF

  摘要：

  本文提供了符合式(I)的3,3-二取代19-去甲固醇化合物及其药物组成物。这种化合物被认为有用于预防和治疗各种与中枢神经系统有关的疾病，例如睡眠障碍、情绪障碍、精神分裂症谱系障碍、记忆和/或认知障碍、运动障碍、人格障碍、自闭症谱系障碍、疼痛、创伤性脑损伤、血管疾病、物质滥用障碍和/或戒断综合征、耳鸣、癫痫持续状态等方面的治疗。

  公开号：

  US20160068563A1

文献信息

• Synthesis and characterization of squaric acid based NIR dyes for their application towards dye-sensitized solar cells
  作者：Takafumi Inoue、Shyam S. Pandey、Naotaka Fujikawa、Yoshihiro Yamaguchi、Shuji Hayase

  DOI：10.1016/j.jphotochem.2010.04.015

  日期：2010.6

  Synthesis of novel cyan-colored sensitizing dyes bearing squaric acid core and 2,3,3-trimethyl-indole as terminal moieties has been conducted in order to fabricate dye-sensitized solar cells based on nanoporous TiO2. It has been found that position of COOH functionality utilized for anchoring with TiO2 surface has a marked effect on solar cell performance. Carboxylic acid group directly substituted to indole ring gave about 5-fold higher conversion efficiency as compared to the dye when it was substituted in alkyl chain of the indole ring. Efficiency has been found to be hampered due to aggregation and enhancement in the efficiency was observed when dyes were used with chenodeoxycholic acid (CDCA). Using COCA and long alkyl substituent at the N-position of indole ring to prevent aggregation and enhanced TiO2 surface passivation, respectively, has achieved a solar conversion efficiency of 3.15% with a short circuit current density of 7.26 mA/cm(2), an open circuit voltage of 0.64 V and a fill factor of 0.68 for SQ-5 under standard AM 1.5 solar irradiation. (C) 2010 Elsevier B.V. All rights reserved.
• Preparation of a squaraine-bounded cellulose derivative for photocurrent generation system
  作者：Yasuko Saito、Hiroshi Kamitakahara、Toshiyuki Takano

  DOI：10.1016/j.carres.2015.12.002

  日期：2016.2

  results showed that the cellulose backbone of compound 4 acts as an effective scaffold for the good photocurrent generation performances and that compound 4 was a promising complementary material of the porphyrin-bounded cellulose derivatives (for photocurrent generation at 400-420 nm) for effective utilization of solar light, as well as the phthalocyanine-bounded cellulose derivatives (for photocurrent

  由6-O-（4-甲氧基三苯甲基）纤维素（1）通过三个反应步骤在77％的条件下制备具有SQ（DSSQ）取代度为0.55的与区域选择性方酸（SQ）结合的纤维素衍生物（4）。总产量。还制备了月桂基SQ羧酸盐（8）作为参考样品。与SQ-COOH（7）相比，化合物4的SQ部分在CHCl3中的光稳定性没有提高，但化合物8的SQ部分的光稳定性却出乎意料的提高。铟锡氧化物（ITO）电极上的Langmuir-Blodgett单层膜4B和8B分别由化合物4和8通过垂直浸渍法成功制备。膜4B和8B显示出在550-680nm范围内的光电流产生性能。膜4B在650nm处的量子产率高于膜8B。
• 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF
  申请人：HARRISON Boyd L.

  公开号：US20160068563A1

  公开（公告）日：2016-03-10

  Provided herein are 3,3-disubstituted 19-nor-steroidal compounds according to Formula (I): and pharmaceutical compositions thereof. Such compounds are contemplated useful for the prevention and treatment of a variety of CNS-related conditions, for example, treatment of sleep disorders, mood disorders, schizophrenia spectrum disorders, disorders of memory and/or cognition, movement disorders, personality disorders, autism spectrum disorders, pain, traumatic brain injury, vascular diseases, substance abuse disorders and/or withdrawal syndromes, tinnitus, status epilepticus.

  本文提供了符合式(I)的3,3-二取代19-去甲固醇化合物及其药物组成物。这种化合物被认为有用于预防和治疗各种与中枢神经系统有关的疾病，例如睡眠障碍、情绪障碍、精神分裂症谱系障碍、记忆和/或认知障碍、运动障碍、人格障碍、自闭症谱系障碍、疼痛、创伤性脑损伤、血管疾病、物质滥用障碍和/或戒断综合征、耳鸣、癫痫持续状态等方面的治疗。