4-ethoxy-2-fluorobenzonitrile | 186191-34-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-ethoxy-2-fluorobenzonitrile
• CAS: 186191-34-4
• 化学式: C₉H₈FNO
• 分子量: 165.167
• InChiKey: MJFCNALIRFIEAS-UHFFFAOYSA-N

物化性质

• 沸点：
  250.4±20.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-ethoxy-2-fluorobenzonitrile 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 生成 4-乙氧基-2-氟苯甲酸
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Two Series of Laterally Fluorinated Symmetric Ester Liquid Crystals

  摘要：

  Two series of symmetric ester liquid crystals (nAFBHQ and nADFBHQ) with lateral fluorine atoms have been synthesized. Their chemical structures were measured by FTIR, H-1 NMR, and elemental analysis (EA). Their mesomorphic properties were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). It was found that both series showed nematic phase only. And their melting point and clearing point decreased with the number of carbon atoms in alkoxy group. It can also be found that nAFBHQ have approximately the same temperatures of melting point but much higher temperatures of clearing point than their corresponding compound in nADFBHQ series.

  DOI：

  10.1080/15421400802198359
• 作为产物：
  描述：

  溴乙烷 、 2-氟-4-羟基苯腈 在 potassium iodide 、 sodium hydroxide 作用下， 以 丁酮 为溶剂， 生成 4-ethoxy-2-fluorobenzonitrile
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Two Series of Laterally Fluorinated Symmetric Ester Liquid Crystals

  摘要：

  Two series of symmetric ester liquid crystals (nAFBHQ and nADFBHQ) with lateral fluorine atoms have been synthesized. Their chemical structures were measured by FTIR, H-1 NMR, and elemental analysis (EA). Their mesomorphic properties were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). It was found that both series showed nematic phase only. And their melting point and clearing point decreased with the number of carbon atoms in alkoxy group. It can also be found that nAFBHQ have approximately the same temperatures of melting point but much higher temperatures of clearing point than their corresponding compound in nADFBHQ series.

  DOI：

  10.1080/15421400802198359

文献信息

• Compounds as syk kinase inhibitors
  申请人：Almirall, S.A.

  公开号：EP2489663A1

  公开（公告）日：2012-08-22

  The present invention relates to a compound of formula (I), to the process for preparing such compounds and to their use in the treatment of a pathological condition or disease susceptible to amelioration by inhibition of Syk kinase.

  本发明涉及一种化合物（I）的公式，以及制备这种化合物的方法，以及它们在治疗病理状况或疾病中的应用，这些病理状况或疾病容易通过抑制Syk激酶而得到改善。
• [EN] SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK<br/>[FR] SALICYLAMIDES DE SPIROHEPTANE ET COMPOSÉS ASSOCIÉS UTILISÉS COMME INHIBITEURS DE ROCK
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017123860A1

  公开（公告）日：2017-07-20

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically-acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

  本发明提供了式(I)的化合物：或立体异构体、互变异构体或药用可接受的盐，其中所有变量如本文所述定义。这些化合物是选择性的ROCK抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用同一化合物治疗心血管、平滑肌、肿瘤学、神经病理学、自身免疫、纤维化和/或炎症性疾病的方法。
• Ortho-selectivity in SNAr substitutions of 2,4-dihaloaromatic compounds. Reactions with anionic nucleophiles
  作者：Michael D. Wendt、Aaron R. Kunzer

  DOI：10.1016/j.tetlet.2010.03.124

  日期：2010.6

  in a variety of solvents. Substrates showed strong preferences for ortho substitution in most cases. Evidence is presented for activating group-dependent coordination, which contributes to very high ortho-selectivity in nonpolar solvents. This also drives the overall reaction rate in these solvents, and is of close to the same magnitude of rate increase derived from polar solvents. para-Products are

  亲核加成的有机阴离子与卤素的芳族化合物既定位邻位和对位，以活化基团在各种溶剂中进行了研究。在大多数情况下，基材显示出对邻位取代的强烈偏好。提出了激活依赖于基团的配位的证据，这有助于在非极性溶剂中非常高的邻位选择性。这也驱动了这些溶剂中的总反应速率，并且与极性溶剂产生的速率增加幅度几乎相同。帕拉-通过在质子传递溶剂中使用冠醚可最大程度地提高产品的性能。总体而言，溶剂作用与与胺类亲核试剂的相应反应有很大不同，这主要是由于过渡态中存在的电荷不同以及亲核试剂的溶剂化所致。
• TROPANE DERIVATIVES USEFUL AS PESTICIDES
  申请人：Selles Patrice

  公开号：US20100331348A1

  公开（公告）日：2010-12-30

  Compounds of formula (I) wherein the substituents have the meanings assigned to them in claim 1, are useful as pesticides.

  式(I)中的化合物，其中取代基具有在权利要求书1中分配给它们的含义，可用作杀虫剂。
• [EN] 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF<br/>[FR] 6-ARYL PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES, COMPOSITIONS ET PROCEDES D'UTILISATION DE CES COMPOSES
  申请人：SANOFI WINTHROP, INC.

  公开号：WO1996028448A1

  公开（公告）日：1996-09-19

  (EN) 6-Aryl pyrazolo[3,4-d]pyrimidin-4-one derivatives, pharmaceutical compositions containing them and methods for effecting c-GMP-phosphodiesterase inhibition and for treating heart failure and/or hypertension.(FR) Cette invention concerne des dérivés 6-aryl pyrazolo[3,4-d]pyrimidin-4-one, des compositions pharmaceutiques contenant ces dérivés ainsi que des procédés permettant d'inhiber la c-GMP-phosphodiestérase et de traiter l'insuffisance cardiaque et/ou l'hypertension.

  由6-aryl pyrazolo[3,4-d]pyrimidin-4-one衍生物组成的药用组合以及抑制c-GMP-磷酸二酯酶的方法和用于治疗心衰和/或高血压的药物治疗方法。