1-(4-fluorophenyl)-2-methylpropan-1-ol | 1766-28-5

• 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-(4-fluorophenyl)-2-methylpropan-1-ol
• 英文别名: 1-(4-Fluoro-phenyl)-2-methyl-propan-1-ol
• CAS: 1766-28-5
• 化学式: C₁₀H₁₃FO
• 分子量: 168.211
• InChiKey: NVTZVRJGHWXKET-UHFFFAOYSA-N

物化性质

• 沸点：
  121-122 °C(Press: 28 Torr)
• 密度：
  1.063±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-fluorophenyl)-2-methylpropan-1-ol 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 0.67h， 以96%的产率得到1-fluoro-4-(2-methylprop-1-en-1-yl)benzene
  参考文献：
  名称：

  Conversion of Arylboronic Acids into Potassium Aryltrifluoroborates: Convenient Precursors of Arylboron Difluoride Lewis Acids

  摘要：

  Reaction of ArB(OH)(2) (3) with KHF2 affords crystalline salts KArBF3 (2). In the presence of TMSCl in acetonitrile, 2a reacts to give NMR signals typical of PhBF(2) in acetonitrile solution. When the reaction of 2 + TMSCl is performed in the presence of potential Lewis bases, the trivalent borane 1 is intercepted, resulting in organoboron complexes. Thus, the oxazaborolidinones 7-10 have been prepared from amino acid-derived amidine carboxylates NaO2CCH(R)N = CHNMe(2) (R = H or phenyl). Complexes 11 and 12 derived from 1,3-diketones are also easily prepared. The KHF2 fluoride exchange coupled with the TMSCl activation method allows in situ generation of ArBF2 without having to handle corrosive trivalent boron halides.

  DOI：

  10.1021/jo00115a016
• 作为产物：
  描述：

  对氟苯甲醛 以 乙醚 为溶剂， 生成 1-(4-fluorophenyl)-2-methylpropan-1-ol
  参考文献：
  名称：

  Diaminopuridine-containing thiourea inhibitors of herpes viruses

  摘要：

  式为##STR1##的化合物在治疗与疱疹病毒相关的疾病中很有用，包括人类巨细胞病毒、单纯疱疹病毒、EB病毒、水痘-带状疱疹病毒、人类疱疹病毒-6和-7，以及卡波西氏疱疹病毒。

  公开号：

  US06166028A1

文献信息

• Synthesis of Halomethyl Isoxazoles/Cyclic Nitrones via Cascade Sequence: 1,2-Halogen Radical Shift as a Key Link
  作者：Hong-Lei Chen、Dian Wei、Jian-Wu Zhang、Cheng-Lin Li、Wei Yu、Bing Han

  DOI：10.1021/acs.orglett.8b00967

  日期：2018.5.18

  A novel iminoxyl radical-promoted dichotomous regioselective 5-exo-trig cyclization onto vinylic halogen/1,2-halogen radical shift sequence is developed for the synthesis of halomethyl isoxazoles/cyclic nitrones using β-halo-β,γ- and γ-halo-γ,δ-unsaturated ketoximes as the substrates and PhI(OAc)2/TEMPO as the oxidation system. DFT calculations reveal that a halogen-bridged three-membered ring transition

  开发了一种新的亚氨基自由基促进的二分体区域选择性5-exo-trig环化到乙烯基卤素/ 1,2-卤素自由基转移序列上，用于使用β-卤代-β，γ-和γ-卤代合成卤代甲基异恶唑/环硝酮-γ，δ-不饱和酮肟为底物，PhI（OAc）2 / TEMPO为氧化体系。DFT计算表明，卤代桥三元环跃迁态与1,2-Cl- / Br原子移位有关，而1,2-I原子迁移可通过消除/再分配机制加以考虑。指示迁移能力按以下顺序排列：I> Br> Cl。
• AMINO ACID COMPOUNDS AND METHODS OF USE
  申请人：Pliant Therapeutics, Inc.

  公开号：US20200109141A1

  公开（公告）日：2020-04-09

  The invention relates to compounds of formula (I): or a salt thereof, wherein R 1 , G, L 1 , L 2 , L 3 , and Y are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are inhibitors of one, or both of, αvβ 1 integrin and αvβ 6 integrin that are useful for treating fibrosis such as in nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP).

  本发明涉及如下公式(I)的化合物： 或其盐，其中R1、G、L1、L2、L3和Y如本文所述。公式(I)的化合物及其药物组合物是αvβ1整合素和/或αvβ6整合素的一种或两种的抑制剂，用于治疗纤维化，如非酒精性脂肪肝炎（NASH）、特发性肺纤维化（IPF）和非特异性间质性肺炎（NSIP）。
• Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses
  申请人：American Home Products Corporation

  公开号：US06335350B1

  公开（公告）日：2002-01-01

  Compounds of the formula: are useful in the treatment of diseases associated with herpes viruses including human cytomegalovirus, herpes simplex viruses, Epstein-Barr virus, varicella-zoster virus, human herpesviruses-6 and -7, and Kaposi herpesvirus.

  该式化合物在治疗与疱疹病毒相关的疾病中很有用，包括人类巨细胞病毒、单纯疱疹病毒、EB病毒、水痘-带状疱疹病毒、人类疱疹病毒6和7，以及卡波西氏疱疹病毒。
• NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20140309225A1

  公开（公告）日：2014-10-16

  The object of the present invention is to provide a compound and a pharmaceutical composition having excellent Syk inhibitory activity. According to the present invention, a nicotinamide derivative represented by the following formula (I) or a salt thereof is provided, wherein R 1 is a substituent represented by the following formula (II-1), (III-1), or (IV-1) (wherein R 3 , R 4 , R 5 , n, and X 1 have the same definitions as those described in the specification), and R 2 is a pyridyl, indazolyl, phenyl, pyrazolopyridyl, benzisoxazolyl, pyrimidinyl, or quinolyl group, each of which optionally has at least one substituent.

  本发明的目的是提供一种具有优异的Syk抑制活性的化合物和药物组合物。根据本发明，提供了由以下式（I）表示的烟酰胺衍生物或其盐， 其中 R 1 是由以下式（II-1）、（III-1）或（IV-1）表示的取代基 （其中R 3 、R 4 、R 5 、n和X 1 的定义与说明书中描述的相同），而R 2 是吡啶基、吲唑基、苯基、吡唑吡啶基、苯并异噁唑基、嘧啶基或喹啉基，每种基可选择地具有至少一个取代基。
• [EN] SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A] PYRIDINE DERIVATIVES AND USE THEREOF<br/>[FR] DÉRIVÉS DE 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5 A] PYRIDINE SUBSTITUÉS ET LEUR UTILISATION
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2020215094A1

  公开（公告）日：2020-10-22

  Provided herein are 2-amino-pyrazolyl-[ 1,2,4]triazolo [1,5a]pyridine derivatives. Such compounds are useful, for example, for the treatment and/or prevention of neurodegenerative diseases or disorders such as ophthalmological neurodegenerative disorders. This disclosure also features compositions containing the same as well as methods of using and making the same.

  本文提供了2-氨基吡唑基-[1,2,4]三唑[1,5a]吡啶衍生物。这些化合物可用于治疗和/或预防神经退行性疾病或障碍，如眼科神经退行性疾病。本公开还涉及含有这些化合物的组合物，以及使用和制备这些化合物的方法。