6-氟-1-苯并噻吩-2-甲酰氯 | 142329-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 6-氟-1-苯并噻吩-2-甲酰氯
• 中文别名: 1-(6-(1-羟基-乙基)-吡啶-2-YL)-乙醇
• 英文名称: 6-fluorobenzo[b]thiophene-2-carbonyl chloride
• 英文别名: 6-Fluoro-1-benzothiophene-2-carbonyl chloride
• CAS: 142329-20-2
• 化学式: C₉H₄ClFOS
• 分子量: 214.648
• InChiKey: JTSBQVDTBOUFOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-aminocyclopentanecarboxylic acid (2-phenyl-1(R)-{[1-(tetrahydropyran-4-ylmethyl)piperidin-4-ylmethyl]carbamoyl}ethyl)amide dihydrochloride 、 6-氟-1-苯并噻吩-2-甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 6-fluoro-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
  参考文献：
  名称：

  发现了一系列新的有效和选择性线性速激肽NK2受体拮抗剂。

  摘要：

  从1（MEN14268）开始，这是一种具有令人感兴趣的体外药理学特性的选择性速激肽NK2受体拮抗剂，通过专注于重复结构修饰的优化过程获得了众多拮抗剂家族。研究了在分子的亲脂性芳族部分上引入各种取代基的影响以及通过插入不同的非手性α，α-二烷基氨基酸对结构约束的调节。特别地，在伪N-末端残基处引入芳族和苯并稠合的杂芳族部分以取代2-苯并噻吩部分，并且据报道对苯并噻吩核心的取代基在芳族平台上的最佳定位进行了系统研究。提出了对亲水性假C末端侧基的长度和刚性的调节的研究。在配体的这一部分中，受体对许多杂脂族基团具有很好的耐受性。由于在豚鼠静脉内，十二指肠内和口服给药后具有良好的体内活性，最终选择了在苯并噻吩上带有甲基取代基和四氢吡喃基甲基哌啶侧基的产物48f（MEN15596）。

  DOI：

  10.1021/jm070289w

文献信息

• Hydrazine compounds or their salts, processes for producing them and pesticides containing them
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP0483647A1

  公开（公告）日：1992-05-06

  A hydrazine compound of the formula (I) or its salt: wherein A is a benzofuranyl group which may be substituted, a quinolinyl group which may be substituted, a benzothienyl group which may be substituted, a benzothiazolyl group which may be substituted, a thienothienyl group which may be substituted, a dihydrothienothienyl group which may be substituted, a dihydrocyclopentathienyl group which may substituted, a tetrahydrobenzothienyl group-which may be substituted, an indanyl group which may be substituted, or a hexahydroindanyl group which may be substituted, W is a hydrogen atom, a cyano group, -COCOOR', -S-N(R'')COOR' or -CH₂OCOR', wherein each of R' and R'' which are independent from each other, is an alkyl group or a cycloalkyl group, R is a halogen atom, an alkyl group which may be substituted by a halogen atom, an alkoxy group which may substituted by a halogen atom, an alkylthio group which may be substituted by a halogen atom, or a nitro group, n is an integer of from 0 to 5, provided that when n is 2 or more, the plurality of R may be the same or different.

  式 (I) 的肼化合物或其盐： 其中 A 是一个可被取代的苯并呋喃基、一个可被取代的喹啉基、一个可被取代的苯并噻吩基、一个可被取代的苯并噻唑基、一个可被取代的噻吩基、一个可被取代的二氢噻吩基、一个可被取代的二氢环噻吩基、一个可被取代的四氢苯并噻吩基、可被取代的二氢噻吩基、可被取代的二氢环戊噻吩基、可被取代的四氢苯并噻吩基、可被取代的茚基或可被取代的六氢茚基、W 是氢原子、氰基、-COCOOR'、-S-N(R'')COOR'或-CH₂OCOR'，其中 R'和 R''各自独立，是烷基或环烷基，R 是卤素原子、可被卤素原子取代的烷基、可被卤素原子取代的烷氧基、可被卤素原子取代的烷硫基或硝基，n 为 0 至 5 的整数，但当 n 为 2 或 2 以上时，多个 R 可以相同或不同。
• GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS
  申请人：Axovant Sciences GmbH

  公开号：EP3233087B1

  公开（公告）日：2019-10-02
• THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：GRIFFIOEN Gerard

  公开号：US20090054410A1

  公开（公告）日：2009-02-26

  This invention provides specifically substituted 1,2,4-thiadiazole derivatives for use in the treatment of an α-synucleopathy such as Parkinson's disease, diffuse Lewy body disease, traumatic brain injury, amyotrophic lateral sclerosis, Niemann-Pick disease, Hallervorden-Spatz syndrome, Down syndrome, neuroaxonal dystrophy, multiple system atrophy and Alzheimer's disease. This invention also provides various methods for producing such substituted 1,2,4-thiadiazole derivatives.
• GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS
  申请人：AXOVANT SCIENCES GMBH

  公开号：US20170369486A1

  公开（公告）日：2017-12-28

  The present invention relates to novel geminal substituted quinuclidine amide compounds, and pharmaceutical compositions of the same, that are suitable as agonists or partial agonists of α7-nAChR, and methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering the compound or composition to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.
• US5304657A
  申请人：——

  公开号：US5304657A

  公开（公告）日：1994-04-19