2,6-Difluoro-4-tert-butylphenol | 953091-22-0

• 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: 2,6-Difluoro-4-tert-butylphenol
• 英文别名: 4-tert-butyl-2,6-difluoro-phenol；4-(tert-Butyl)-2,6-difluorophenol；4-tert-butyl-2,6-difluorophenol
• CAS: 953091-22-0
• 化学式: C₁₀H₁₂F₂O
• 分子量: 186.201
• InChiKey: LTCZIPBXQXTKKR-UHFFFAOYSA-N

物化性质

• 沸点：
  197.0±35.0 °C(Predicted)
• 密度：
  1.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  1
• 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：
  3

反应信息

• 作为反应物：
  描述：

  溴乙酸乙酯 、 2,6-Difluoro-4-tert-butylphenol 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 以68%的产率得到(4-tert-butyl-2,6-difluoro-phenoxy)-acetic acid ethyl ester
  参考文献：
  名称：

  WO2007/120012

  摘要：

  公开号：
• 作为产物：
  描述：

  4-叔丁基环己醇 在 caesium fluoroxysulphate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以58%的产率得到4-叔-丁基-2-氟-苯酚
  参考文献：
  名称：

  杂原子对有机分子与氟代硫酸铯反应的影响

  摘要：

  CsSO 4 F在室温或35°C下在乙腈中与各种含杂原子的有机分子反应，已观察到三种类型的转化。用三苯基甲烷，三苯基硅烷，三苯基氯硅烷，4-叔丁基苯酚，苯甲醛和辛醛进行氟取代过程，从而以高收率形成了氟三苯基甲烷，氟三苯硅烷，2-氟-4-叔丁基苯酚，苯甲酰氟或辛酰氟。在2-氟-4-叔丁基苯酚的情况下，取代反应伴随有氟加成过程，其中分离出2，2-二氟-4-叔丁基环己二酮-4，6。CSSO 4F容易将仲醇氧化成酮，而1,2-二羟基-4-叔丁基苯则氧化成醌。在三苯基膦和二苯并噻吩的情况下观察到氧合过程，而碘乙烷被转化为二氟乙基碘（III）。溶剂在这些反应中起着重要作用，在CH 3 CN中成功进行，并在CH 2 Cl 2中被完全抑制，而通过连续混合CH 3改变溶剂性质，观察到各种形状的氟化物对各种有机分子的作用不同。具有CH 2 Cl 2的CN 。

  DOI：

  10.1016/s0040-4020(01)90179-6

文献信息

• MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS
  申请人：Marsault Eric

  公开号：US20100093720A1

  公开（公告）日：2010-04-15

  The present invention provides conformationally-defined macrocyclic compounds that bind to and/or are functional modulators of the motilin receptor including subtypes, isoforms and/or variants thereof. These macrocyclic compounds, at a minimum, possess adequate pharmacological properties to be useful as therapeutics for a range of disease indications. In particular, these compounds are useful for treatment and prevention of disorders characterized by hypermotilinemia and/or gastrointestinal hypermotility, including, but not limited to, diarrhea, cancer treatment-related diarrhea, cancer-induced diarrhea, chemotherapy-induced diarrhea, radiation enteritis, radiation-induced diarrhea, stress-induced diarrhea, chronic diarrhea, AIDS-related diarrhea, C. difficile associated diarrhea, traveller's diarrhea, diarrhea induced by graph versus host disease, other types of diarrhea, dyspepsia, irritable bowel syndrome, chemotherapy-induced nausea and vomiting (emesis) and post-operative nausea and vomiting and functional gastrointestinal disorders. In addition, the compounds possess utility for the treatment of diseases and disorders characterized by poor stomach or intestinal absorption, such as short bowel syndrome, celiac disease and cachexia. The compounds also have use for the treatment of inflammatory diseases and disorders of the gastrointestinal tract, such as inflammatory bowel disease, ulcerative colitis, Crohn's disease and pancreatitis. Accordingly, methods of treating such disorders and pharmaceutical compositions including compounds of the present invention are also provided.

  本发明提供了与胃动素受体及其亚型、异构体和/或变体结合和/或是功能调节剂的构象定义明确的大环化合物。这些大环化合物至少具有足够的药理特性，可用作治疗一系列疾病指示的治疗药物。特别是，这些化合物对于治疗和预防以高胃动素血症和/或胃肠道高蠕动性为特征的疾病非常有用，包括但不限于腹泻、癌症治疗相关腹泻、癌症诱导腹泻、化疗诱导腹泻、放射性肠炎、放射性腹泻、压力诱导腹泻、慢性腹泻、艾滋病相关腹泻、C. difficile相关腹泻、旅行者腹泻、移植物宿主病引起的腹泻、其他类型的腹泻、消化不良、肠易激综合征、化疗诱导的恶心和呕吐（呕吐）以及术后恶心和呕吐和功能性胃肠道疾病。此外，这些化合物对于治疗以胃或肠道吸收不良为特征的疾病和疾病也具有用途，例如短肠综合征、乳糜泻和虚弱。这些化合物还可用于治疗胃肠道炎症性疾病和疾病，如炎症性肠病、溃疡性结肠炎、克罗恩病和胰腺炎。因此，本发明还提供了治疗此类疾病的方法和包括本发明化合物的药物组合物。
• ANTI-ESTROGENIC COMPOUNDS
  申请人：PFIZER INC.

  公开号：US20160311805A1

  公开（公告）日：2016-10-27

  The present disclosure provides a compound of Formula I: or a pharmaceutically acceptable salt wherein X, R 1 -R 8 , Y 1 -Y 5 , m, n, p, and q are defined herein. The novel 2H-chromene compounds are useful for the modulation of disorders mediated by estrogen, and other disorders, as described herein. The present invention also relates to pharmaceutical compositions containing the compounds and to methods of using the compounds and compositions.

  本公开提供一种具有以下化学式的化合物：或其药用可接受盐，其中X、R1-R8、Y1-Y5、m、n、p和q在此处定义。这些新型2H-香豆素化合物对通过雌激素介导的疾病和其他疾病的调节具有用处，如本文所述。本发明还涉及含有这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• E-Selectin Antagonists Modified By Macrocycle Formation to the Galactose
  申请人：GLYCOMIMETICS, INC.

  公开号：US20160333043A1

  公开（公告）日：2016-11-17

  Provided herein are glycomimetic E-selectin antagonist compounds of formula (I)) and pharmaceutical compositions comprising at least one of the same. The compounds of the present disclosure include trisaccharide domain mimics comprising at least one macrocycle created through the 2 nd and 3 rd positions on a galactose within the mimic. Methods are also provided comprising using at least one of such compounds and compositions comprising at least one of the same to treat and/or prevent diseases and disorders treatable by inhibiting binding of an E-selectin to an E-selectin ligand.

  本文提供了公式（I）的糖类模拟E-选择素拮抗剂化合物和至少包含其中一种的药物组合物。本公开的化合物包括至少包含通过模拟中的半乳糖的第二和第三位置上创建的至少一种大环的三糖基域模拟物。还提供了使用至少一种这样的化合物和包含至少一种这样的组合物来治疗和/或预防通过抑制E-选择素与E-选择素配体结合可治疗的疾病和疾病的方法。
• Azaindole Compounds and Methods for Treating HIV
  申请人：De La Rosa Martha Alicia

  公开号：US20130018049A1

  公开（公告）日：2013-01-17

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the retrovirus family of viruses such as the Human Immunodeficiency Virus (HIV).

  提供的是化合物及其药学上可接受的盐，它们的药物组合物，它们的制备方法以及它们用于治疗由反转录病毒家族的病毒介导的病毒感染，如人类免疫缺陷病毒（HIV）的用途。
• Isoquinoline Compounds And Methods For Treating HIV
  申请人：De La Rosa Martha Alicia

  公开号：US20130289027A1

  公开（公告）日：2013-10-31

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the retrovirus family of viruses such as the Human Immunodeficiency Virus (HIV).

  提供化合物及其药物可接受的盐，它们的药物组合物，它们的制备方法以及它们用于治疗由逆转录病毒家族成员介导的病毒感染，例如人类免疫缺陷病毒（HIV）的用途。