2-methylbenzothiophene-5-carbaldehyde | 56540-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-methylbenzothiophene-5-carbaldehyde
• 英文别名: 2-methylbenzo[b]thiophene-5-carbaldehyde；2-methyl-1-benzothiophene-5-carbaldehyde
• CAS: 56540-58-0
• 化学式: C₁₀H₈OS
• 分子量: 176.239
• InChiKey: GVDSRENOWDBWIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methylbenzothiophene-5-carbaldehyde 在 sodium tetrahydroborate 、 乙醇 作用下， 以1.71 g的产率得到(2-methylbenzo[b]thiophen-5-yl)methanol
  参考文献：
  名称：

  平行二芳基乙烯强制触发阻转异构化为其反向平行非对映体

  摘要：

  本文描述了一种机械方法，用于诱导平行二芳基乙烯阻转异构化成具有不同化学反应性的反平行非对映体。镜像对称的( R a ,S a )构型的稠密平行二芳基乙烯机械团在超声诱导力场下被阻转异构为其具有C 2对称性的反平行非对映异构体。所得的立体化学转化材料获得了对称性允许的旋转光环化反应活性。

  DOI：

  10.1021/jacs.3c03994
• 作为产物：
  描述：

  2-Methyl-6,7-dihydro-benzo[b]thiophene-5-carbaldehyde 在 sulfur 作用下， 以 二苯醚 为溶剂， 反应 1.0h， 生成 2-methylbenzothiophene-5-carbaldehyde
  参考文献：
  名称：

  Datta, Sumana; De, Asish, Journal of the Chemical Society. Perkin transactions I, 1989, # 3, p. 603 - 607

  摘要：

  DOI：

文献信息

• Agent for potentiating nerve growth factor activity containg 1,2-ethanediol derivate or salt thereof
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1223169A1

  公开（公告）日：2002-07-17

  A remedy for diseases caused by degeneration of central nervous system, comprising a 1,2-ethanediol derivative represented by the following general formula or its salt: wherein R1 represents a substituted or unsubstituted phenyl, naphthyl, indanyl, indenyl, tetrahydronaphthyl or heterocyclic group; R2 represents a hydrogen atom, a C1-6alkyl group or a hydroxyl-protecting group; R3 represents a hydrogen atom or a C1-6alkyl group; nR4's may be the same as or different from one another and each represents a hydrogen atom or a C1-6alkyl group; nR5's may be the same as or different from one another and each represents a hydrogen atom or a C1-6alkyl group; R6 represents a substituted or unsubstituted amino or nitrogen-containing heterocyclic group or an ammonio group; and n represents 0 or an integer of 1 to 6, provided that the following 1,2-ethanediol derivative represented by general formula or its salt: wherein nR1a'S may be the same as or different from one another and each represents a fluorine, chlorine, bromine or iodine atom, C1-6alkyl, C1-6alkoxy or phenyl group; R2a represents a hydrogen atom or a hydroxyl-protecting group; R6a represents a C1-6alkyl-substituted amino group or a pyrrolyl, pyrrolidinyl, piperidyl, piperazinyl, imidazolyl, pyrazolyl, pyridyl, tetrahydropyridyl, pyrimidinyl, morpholinyl, thiomorpholinyl, quinolyl, quinolidinyl, tetrahydroquinolinyl, tetrahydroisoquinolinyl, quinuclidinyl, thiazolyl, tetrazolyl, thiadiazolyl, pyrrolinyl, imidazolinyl, imidazolidinyl, pyrazolinyl, pyrazolidinyl, purinyl, indazolyl, furyl, thienyl, benzothienyl, pyranyl, isobenzofuranyl, oxazolyl, benzofuranyl, indolyl, benzimidazolyl, benzoxazolyl, benzothiazolyl, quinoxalyl, dihydroquinoxalinyl, 2,3-dihydrobenzothienyl, 2,3-dihydrobenzopyrrolyl, 2,3-dihydro-4H-1-thianaphthyl, 2,3-dihydrobenzofuranyl, benzo[b]dioxanyl, imidazo[2,3-a]pyridyl, benzo[b]piperazinyl, chromenyl, isothiazolyl, isoxazolyl, thiadiazolyl, oxadiazolyl, pyridazinyl, isoindolyl or isoquinolyl group; and n represents an integer of 1 to 5, is excluded.

  一种治疗由中枢神经系统退化引起的疾病的药物，包括以下一般公式或其盐所代表的1,2-乙二醇衍生物：其中R1代表取代或未取代的苯基、萘基、茚基、茚基、四氢萘基或杂环基团；R2代表氢原子、C1-6烷基或羟基保护基团；R3代表氢原子或C1-6烷基；nR4可能相同也可能不同，每个代表氢原子或C1-6烷基；nR5可能相同也可能不同，每个代表氢原子或C1-6烷基；R6代表取代或未取代的氨基或含氮杂环基团或铵基；n代表0或1至6的整数，条件是以下一般公式或其盐所代表的1,2-乙二醇衍生物：其中nR1a'可能相同也可能不同，每个代表氟、氯、溴或碘原子、C1-6烷基、C1-6烷氧基或苯基；R2a代表氢原子或羟基保护基团；R6a代表C1-6烷基取代的氨基团或吡咯基、吡咯啉基、哌啶基、哌嗪基、咪唑基、吡唑基、吡啶基、四氢吡啶基、嘧啶基、吗啉基、硫代嘧啶基、喹啉基、喹啉啉基、四氢喹啉基、四氢异喹啉基、喹啉基、噻唑基、四唑基、噻二唑基、吡咯啉基、咪唑啉基、吡唑啉基、吡咯啉基、吲唑基、呋喃基、噻吩基、苯并噻吩基、吡喃基、异苯并呋喃基、噁唑基、苯并呋喃基、吲哚基、苯并咪唑基、苯并噁唑基、苯并噻嗪基、喹喃基、异吲哚基或异喹啉基团；n代表1至5的整数，被排除。
• Agent for potentiating nerve growth factor activity containing
  申请人：Toyama Chemical Co., Ltd.

  公开号：US05807887A1

  公开（公告）日：1998-09-15

  A 1,2-ethanediol derivative represented by the general formula \x9bI! or its salt: ##STR1## has a NGF activity-potentiating effect and is useful as a remedy for various diseases caused by degeneration of central nervous system or peripheral nervous system such as senile dementia of Alzheimer type, Huntington's chorea, various neuropathies, Riley-Day syndrome, traumatic nerve injury, amyotrophic lateral sclerosis (ALS) and the like.

  一种由一般式\x9bI!表示的1,2-乙二醇衍生物或其盐：##STR1##具有NGF活性增强作用，并且可用作治疗由中枢神经系统或外周神经系统退化引起的各种疾病的药物，例如老年性阿尔茨海默氏病、亨廷顿舞蹈症、各种神经病、莱利-戴氏综合征、创伤性神经损伤、肌萎缩侧索硬化症（ALS）等。
• POTENTIATOR FOR NERVE GROWTH FACTOR ACTIVITY CONTAINING 1,2-ETHANEDIOL DERIVATIVE OR SALT THEREOF
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP0790246A1

  公开（公告）日：1997-08-20

  A 1,2-ethanediol derivative represented by the general formula [I] or its salt: has a NGF activity-potentiating effect and is useful as a remedy for various diseases caused by degeneration of central nervous system or peripheral nervous system such as senile dementia of Alzheimer type, Huntington's chorea, various neuropathies, Riley-Day syndrome, traumatic nerve injury, amyotrophic lateral sclerosis (ALS) and the like.

  一种由通式[I]或其盐代表的 1,2-乙二醇衍生物： 具有促进 NGF 活性的作用，可用于治疗中枢神经系统或周围神经系统退化引起的各种疾病，如阿尔茨海默型老年痴呆症、亨廷顿舞蹈症、各种神经病、瑞利-戴伊综合征、创伤性神经损伤、肌萎缩性脊髓侧索硬化症（ALS）等。
• DATTA, SUMANA;DE, ASISH, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 603-607
  作者：DATTA, SUMANA、DE, ASISH

  DOI：——

  日期：——
• US06034119
  申请人：——

  公开号：——

  公开（公告）日：——