1-fluoro-4-nonylbenzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-fluoro-4-nonylbenzene
• 英文别名: 9-(4-fluorophenyl)nonan
• 化学式: C₁₅H₂₃F
• 分子量: 222.346
• InChiKey: OVZVGLJXOVOKGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-溴辛烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 magnesium 作用下， 生成 1-fluoro-4-nonylbenzene
  参考文献：
  名称：

  烷基硫化物与原子氢的固相反应机理。通过9-S-3自由基中间体还原。

  摘要：

  在与原子氢反应后，苄基烷基硫醚片段化的低选择性表明该反应是通过早期过渡态进行的。一系列取代的苄基烷基硫醚的竞争性还原对芳环上的取代基不敏感（rho = -0.13，r = 0.99）。一系列取代的苄基烷基硫化物的相对裂解率给出了V形的Hammett图。给电子基团和吸电子基团都使过渡态不稳定（rho = + 0.99，r = 0.999； rho = -0.82，r = 0.992）。由于烷基苄基硫醚的相对消失率不依赖于取代基，而断裂的相对率则不依赖，因此优选9-S-3中间体作为产生产物的结构。

  DOI：

  10.1021/jo9615615

文献信息

• NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION
  申请人：NIPPON MINING COMPANY LIMITED

  公开号：EP0311692A1

  公开（公告）日：1989-04-19

  This invention provides a novel alkanoyl ester compound represented by general formula (I): (wherein A is of -, B is ℓ and m are 1 or 2 provided that both are not simultaneously 2, k and n are an integer of 1 or more, respectively, provided that k>n, and R is an alkyl group), a liquid crystal composition containing this compound, a novel alkanoylphenyl compound or a novel alkanoylbiphenyl compound as an intermediate for the production of the above compound, and a method of producing the same. These novel alkanoyl ester compounds are excellent in the stability against light and the like and can take a liquid crystal state at a wide temperature range. Particularly, these compounds form liquid crystals of ferroelectricity having a large spontaneous polarization and a fast response rate by introducing an optically active group into the compound, so that they develop a very excellent effect as a starting material for optoelectronics and its related elements.

  本发明提供了通式(I)代表的新型烷酰基酯化合物： (其中 A 为-、 B为 ℓ和m为1或2，条件是两者不同时为2，k和n分别为1或1以上的整数，条件是k>n，R为烷基）、含有该化合物的液晶组合物、作为生产上述化合物的中间体的新型烷酰基苯基化合物或新型烷酰基联苯化合物，以及生产上述化合物的方法。这些新型烷酰基酯化合物具有极佳的耐光等稳定性，可在很宽的温度范围内形成液晶状态。特别是，这些化合物通过引入光学活性基团，形成了自发极化大、响应速度快的铁电性液晶，因此，作为光电子学及其相关元件的起始材料，具有非常优异的效果。
• Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10780092B2

  公开（公告）日：2020-09-22

  The invention provides certain fused pyrazine compounds of the Formula (I) or a pharmaceutically acceptable salts thereof, wherein X, Y, R1, R3, R4a, R5a, R5b, R6, and the subscript t are as described herein. The compounds or their pharmaceutically acceptable salts can modulate the body's production of cyclic guanosine monophosphate (“cGMP”), and are generally suitable for the therapy and prophylaxis of diseases or disorders which are associated with a disturbed cGMP balance. The invention also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The invention also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of the abovementioned diseases and disorders and for preparing pharmaceuticals for this purpose.

  本发明提供了某些式（I）的融合吡嗪化合物或其药学上可接受的盐类，其中 X、Y、R1、R3、R4a、R5a、R5b、R6 和下标 t 如本文所述。本发明的化合物或其药学上可接受的盐类可以调节体内环磷酸鸟苷（"cGMP"）的产生，通常适用于治疗和预防与 cGMP 平衡紊乱有关的疾病或失调。本发明还提供了包含式（I）化合物或其药学上可接受的盐的药物组合物。本发明还涉及将这些化合物或其药学上可接受的盐用于治疗和预防上述疾病和紊乱的方法，以及为此目的制备药物的方法。
• FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS
  申请人：WHITEHEAD Alan

  公开号：US20190307753A1

  公开（公告）日：2019-10-10

  The invention provides certain fused pyrazine compounds of the Formula (I) or a pharmaceutically acceptable salts thereof, wherein X, Y, R 1 , R 3 , R 4a , R 5a , R 5b , R 6 , and the subscript t are as described herein. The compounds or their pharmaceutically acceptable salts can modulate the body's production of cyclic guanosine monophosphate (“cGMP”), and are generally suitable for the therapy and prophylaxis of diseases or disorders which are associated with a disturbed cGMP balance. The invention also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The invention also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of the abovementioned diseases and disorders and for preparing pharmaceutical s for this purpose.
• US5137653A
  申请人：——

  公开号：US5137653A

  公开（公告）日：1992-08-11
• US9598367B2
  申请人：——

  公开号：US9598367B2

  公开（公告）日：2017-03-21