4,4-difluorooctane | 381-43-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 4,4-difluorooctane
• 英文别名: 4,4-Difluor-octan
• CAS: 381-43-1
• 化学式: C₈H₁₆F₂
• 分子量: 150.212
• InChiKey: MTZWYIDCIJKPQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4-difluorooctane 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 反应 3.0h， 生成 5,5-difluorooctyl (R)-2-acetoxy-2-phenylacetate
  参考文献：
  名称：

  Regio-selective hydroxylation of gem-difluorinated octanes by alkane hydroxylase (AlkB)

  摘要：

  gem-Difluoromethylene substituted molecules constitute a distinct class of fluorinated compounds. In this study, special chemistry has been developed for their preparation based on the highly selective terminal hydroxylation of these gem-difluorinated octanes by AlkB (alkane hydroxylase) from Pseudomonas putida Gpo1 to form gem-difluorinated octan-1-ols. The hydroxylation reaction is performed by whole-cell catalysis. Identification of the distal- and proximal-hydroxylation products was made by H-1, C-13, and F-19 NMR; GC and GC/MSD; and/or by comparison with authentic standards in GC. To the best of our knowledge, we have obtained the first synthesis of 2,2-, 3,3- and 4,4-difluorooctan-1-ols, from simple and inexpensive starting materials. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.101
• 作为产物：
  描述：

  4-辛炔 在 氢氟酸 、 丙酮 作用下， 生成 4,4-difluorooctane
  参考文献：
  名称：

  Henne; Plueddeman, Journal of the American Chemical Society, 1943, vol. 65, p. 588

  摘要：

  DOI：

文献信息

• [EN] 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF<br/>[FR] 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES ET SES UTILISATIONS THÉRAPEUTIQUES
  申请人：SAMUMED LLC

  公开号：WO2017023981A1

  公开（公告）日：2017-02-09

  7-Azaindazole compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of a 7-azaindazole compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, fibrotic disorders, bone or cartilage diseases, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as genetic diseases and neurological conditions/disorders/diseases due to mutations or dysregulation of the Wnt pathway and/or of one or more of Wnt signaling components. Also provided are methods for treating Wnt-related disease states.

  7-氮杂吲唑化合物用于治疗各种疾病和病理已被披露。更具体地，本公开涉及使用7-氮杂吲唑化合物或其类似物，治疗通过激活Wnt途径信号（例如癌症、异常细胞增殖、血管生成、纤维化疾病、骨骼或软骨疾病和骨关节炎）表征的疾病，调节由Wnt途径信号介导的细胞事件，以及由于Wnt途径和/或一个或多个Wnt信号组分的突变或失调而导致的遗传疾病和神经病理状况/障碍/疾病。还提供了治疗与Wnt相关疾病状态的方法。
• [EN] 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF<br/>[FR] 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：SAMUMED LLC

  公开号：WO2017024003A1

  公开（公告）日：2017-02-09

  4-Azaindazole compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of a 4-azaindazole compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, fibrotic disorders, bone or cartilage diseases, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as genetic diseases and neurological conditions/disorders/diseases due to mutations or dysregulation of the Wnt pathway and/or of one or more of Wnt signaling components. Also provided are methods for treating Wnt-related disease states.

  披露了用于治疗各种疾病和病理的4-氮杂吲唑化合物。更具体地，本公开涉及使用4-氮杂吲唑化合物或其类似物，治疗通过Wnt途径信号激活所特征化的疾病（例如癌症、异常细胞增殖、血管生成、纤维化疾病、骨骼或软骨疾病和骨关节炎），调节由Wnt途径信号介导的细胞事件，以及由于Wnt途径和/或一个或多个Wnt信号组分的突变或失调而导致的遗传疾病和神经病理条件/障碍/疾病。还提供了治疗与Wnt相关疾病状态的方法。
• [EN] [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS<br/>[FR] [1, 2, 4]TRIAZOLO[1, 5-A]PYRIDINES UTILISÉES COMME INHIBITEURS DE JAK
  申请人：GALAPAGOS NV

  公开号：WO2010010184A1

  公开（公告）日：2010-01-28

  Novel [1,2,4]triazolo[1,5-a]pyridine compounds are disclosed that have a Formula represented by the following: (I). The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, joint disease, inflammation, and others.

  揭示了一种具有以下式表示的化学式的新型[1,2,4]三唑并[1,5-a]吡啶化合物（I）。这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如关节疾病、炎症等。
• Tuning the Regio- and Stereoselectivity of CH Activation in n-Octanes by Cytochrome P450 BM-3 with Fluorine Substituents: Evidence for Interactions Between a CF Bond and Aromatic π Systems
  作者：Li-Lan Wu、Chung-Ling Yang、Feng-Chun Lo、Chih-Hsiang Chiang、Chun-Wei Chang、Kok Yaoh Ng、Ho-Hsuan Chou、Huei-Ying Hung、Sunney I. Chan、Steve S.-F. Yu

  DOI：10.1002/chem.201003631

  日期：2011.4.18

  n‐octane oxidation. In addition, the alanine at residue 328 was replaced with a phenylalanine to introduce an aromatic residue into the hydrophobic pocket to examine whether or not van der Waals interactions between a CF substituent in the substrate and the polarizable π system of the phenylalanine may be used to steer the positioning of the substrate within the active‐site pocket of the enzyme and control

  我们采用水溶性细胞色素P450 BM-3来研究氟化正辛烷的氧化活性和区域特异性。P450 BM-3中引入了三个突变，即A74G，F87V和L188Q，以使系统进行正辛烷氧化。此外，在残基328位的丙氨酸与苯丙氨酸引入芳族残基到疏水口袋替换，以检查是否范德瓦一个C之间耳斯相互作用底物中的F取代基和苯丙氨酸的可极化π系统可用于控制底物在酶活性位点内的定位，并控制羟基化的区域选择性和立体选择性。有趣的是，不仅可以明智地控制氟取代基在底物中的区域选择性，而且输入铁-血红素基团的电子与产物的形成紧密结合，基本上没有任何流产的副反应。观察电子输入和产物形成之间的耦合效率的显着提高了范围在所述酶的氟化辛烷的即使没有A328F突变，因为C的相互作用的推测活性位兜内具有卟啉大环π系统的F取代基。显然，紧固含有血红素口袋的蛋白质结构域调谐访问酶构象的分布以及激活卟啉铁为基底羟化，以允许由高价铁介导的反应的相关蛋白动力学IV
• US3933889A
  申请人：——

  公开号：US3933889A

  公开（公告）日：1976-01-20