3-(p-fluorophenyl)pentane

• 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: 3-(p-fluorophenyl)pentane
• 英文别名: 1-Fluoro-4-pentan-3-ylbenzene
• 化学式: C₁₁H₁₅F
• 分子量: 166.239
• InChiKey: YWZCINHOTPQLFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  4-氟三氟甲苯 、 三乙基铝 在 Et₂Al[HCB₁₁H₅Br₆] 作用下， 以 hexanes 、 邻二氯苯 为溶剂， 反应 24.0h， 以19%的产率得到1-(4-氟苯基)丙烷
  参考文献：
  名称：

  使用铝催化的 C(sp3)-F 键的碳-碳偶联

  摘要：

  与六溴碳硼烷阴离子偶联的二烷基铝阳离子等价物可用作烷基铝化合物对脂肪族 CF 键（烷基化脱氟或 AlkDF）进行烷基化的有效且长寿命的催化剂。只有 C(sp(3))-F 键经历 AlkDF；C(sp(2))-F 键不受影响。经历 AlkDF 的化合物的例子包括单氟烷烃、嵴二氟环戊烷和含有连接到芳基或烷基取代基的 CF(3) 基团的化合物。CF 键到 C-Me 键的转换是使用 Me(3)Al 作为化学计量试剂以高保真度完成的。在与 Et(3)Al 的反应中，CF 键的加氢脱氟与烷基化竞争，这可能表明竞争性氢化物与来自 Et(3)Al 的烷基转移。在三烷基铝试剂中，1.1-1。每个 Al 有 4 个烷基可用于替换 CF 键。有机铝化合物可有效去除反应混合物中的水分，无需使用严格干燥的溶剂。一些有机铝化合物，尤其是甲基铝氧烷，能够使 AlkDF 与更多反应性底物发生反应，但铝的催化在提高速率和在某些情况下显着提高选择性方面比未催化的

  DOI：

  10.1021/ja903927c

文献信息

• ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES
  申请人：Herman Jean

  公开号：US20140088088A1

  公开（公告）日：2014-03-27

  The present invention relates to compound of formula I, II, III, or IV, and/or a pharmaceutical acceptable addition salt thereof and/or a stereoisomer thereof and/or a solvate thereof, Formulas (I), (II), (III) and (IV) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 11 , and R 12 are as defined in the claim 1 or as described in detail in the description of the invention, and to the use of said compounds to treat or prevent proliferative disorders and their use to manufacture a medicine to treat or prevent proliferative disorders, particularly cancer such as leukemia. The present invention also relates to pharmaceutical compositions of said compounds and the use of said pharmaceutical compositions to treat or prevent proliferative disorders. The present invention further relates to the use of said compounds as biologically active ingredients, more specifically as medicaments for the treatment of proliferative disorders and pathologic conditions such as, but not limited to, cancer such as leukemia.

  本发明涉及式I、II、III或IV的化合物，和/或其药用可接受的加合物盐和/或其立体异构体和/或其溶剂化合物，式(I)、(II)、(III)和(IV)中R1、R2、R3、R4、R5、R6、R7、R8、R9、R11和R12如权利要求书中所定义或在发明说明书中详细描述的那样，以及使用所述化合物来治疗或预防增殖性疾病以及用于制造治疗或预防增殖性疾病的药物，特别是像白血病这样的癌症。本发明还涉及所述化合物的药物组合物以及使用所述药物组合物来治疗或预防增殖性疾病。本发明还涉及将所述化合物用作生物活性成分，更具体地用作治疗增殖性疾病和病理状况的药物，例如癌症如白血病等。
• Antiviral Activity of Novel Bicyclic Heterocycles
  申请人：De Jonghe Steven

  公开号：US20130190297A1

  公开（公告）日：2013-07-25

  The present invention relates to compound of Formula I, II, III, or IV, and/or a pharmaceutical acceptable addition salt thereof and/or a stereoisomer thereof and/or a solvate thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R11, and R12 are as defined in the claim 1 or as described in detail in the description of the invention, and to the use of said compounds to treat or prevent viral infections and their use to manufacture a medicine to treat or prevent viral infections, particularly infections with RNA-viruses belonging to the family of the Retroviridae, the family of the Flaviviridae and the family of the Picornaviridae and more preferably infections with Human Immunodeficiency Virus 1 (HIV1), Human Immunodeficiency Virus 2 (HIV2), Hepatitis C virus (HCV), Dengue virus, and enteroviruses like Coxsackievirus, Rhinovirus and Poliovirus. The present invention also relates to pharmaceutical compositions of said compounds and the use of said pharmaceutical compositions to treat or prevent viral infections. The present invention further relates to the use of said compounds as biologically active ingredients, more specifically as medicaments for the treatment of viral disorders and pathologic conditions such as, but not limited to, viral infections with Human Immunodeficiency Virus 1 (HIV1), Human Immunodeficiency Virus 2 (HIV2), Hepatitis C virus (HCV), Dengue virus, and enteroviruses like Coxsackievirus, Rhinovirus and Poliovirus.

  本发明涉及式I、II、III或IV的化合物，和/或其药用可接受的加盐物和/或其立体异构体和/或其溶剂合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R11和R12如权利要求书中所定义或在发明说明书中详细描述的那样，并且涉及使用这些化合物来治疗或预防病毒感染以及用于制造用于治疗或预防病毒感染的药物，特别是属于逆转录病毒科、黄病毒科和小核病毒科家族的RNA病毒感染，更具体地是与人类免疫缺陷病毒1（HIV1）、人类免疫缺陷病毒2（HIV2）、丙型肝炎病毒（HCV）、登革病毒以及柯萨奇病毒、鼻病毒和脊髓灰质炎病毒等肠病毒感染相关的感染。本发明还涉及所述化合物的药物组合物以及使用所述药物组合物来治疗或预防病毒感染。本发明还涉及将所述化合物用作生物活性成分，更具体地用作治疗病毒性疾病和病理状况的药物，例如但不限于与人类免疫缺陷病毒1（HIV1）、人类免疫缺陷病毒2（HIV2）、丙型肝炎病毒（HCV）、登革病毒以及柯萨奇病毒、鼻病毒和脊髓灰质炎病毒相关的病毒感染。
• 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors
  申请人：Baldwin John J.

  公开号：US20080293701A1

  公开（公告）日：2008-11-27

  1-Acylamino-2-hydroxy-3-amino-ω-arylalkanes of formula I. and the salts thereof, have renin-inhibiting properties and can be used as antihypertensive, medicinally active ingredients.

  化学式为I的1-酰胺基-2-羟基-3-氨基-ω-芳基烷的盐酸盐具有抑制肾素的特性，可用作降压药、药用活性成分。
• PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS
  申请人：Martinborough Esther

  公开号：US20110082117A1

  公开（公告）日：2011-04-07

  The present invention relates to heterocyclic derivatives useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及杂环衍生物，可用作离子通道抑制剂。本发明还提供了包含本发明化合物的药学上可接受的组合物，并提供了使用这些组合物治疗各种疾病的方法。
• Spirocyclic compounds as tryptophan hydroxylase inhibitors
  申请人：Roivant Sciences GmbH

  公开号：US10350208B2

  公开（公告）日：2019-07-16

  The present invention is directed to spirocyclic compounds which are inhibitors of tryptophan hydroxylase (TPH), particularly isoform 1 (TPH1), that are useful in the treatment of diseases or disorders associated with peripheral serotonin including, for example, gastrointestinal, cardiovascular, pulmonary, inflammatory, metabolic, and low bone mass diseases, as well as serotonin syndrome, and cancer.

  本发明涉及的螺环化合物是色氨酸羟化酶（TPH），特别是同工酶 1（TPH1）的抑制剂，可用于治疗与外周血清素相关的疾病或失调，例如包括胃肠道、心血管、肺、炎症、代谢和低骨量疾病，以及血清素综合征和癌症。