3,4-difluoro-1,2-benzenediol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3,4-difluoro-1,2-benzenediol
• 英文别名: 3,4-difluorobenzene-1,2-diol；3,4-difluoropyrocatechol；3,4-difluorocatechol
• 化学式: C₆H₄F₂O₂
• 分子量: 146.093
• InChiKey: HLXWLHRCFGKDNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-difluoro-1,2-benzenediol 在 盐酸 、 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 、 lithium amide 、 四氯化钛 、 caesium carbonate 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 27.83h， 生成 (R)-N-(2,3-dihydroxypropoxy)-7-fluoro-6-((2-fluoro-4-iodophenyl)amino)benzo[d][1,3]dioxole-5-carboxamide
  参考文献：
  名称：

  苯并杂环类或苯并杂芳环类衍生物、其制备方 法及其在医药上的应用

  摘要：

  本发明涉及苯并杂环类或苯并杂芳环类衍生物、其制备方法及其在医药上的应用。具体而言，本发明涉及一种通式(I)所示苯并杂环类或苯并杂芳环类衍生物及其可药用盐，其制备方法以及它们作为MEK抑制剂特别是作为癌症治疗剂的用途，其中通式(I)中的各取代基的定义与说明书中的定义相同。本发明提供的化合物具有良好的活性，并表现出优异的抗肿瘤细胞增殖的作用。

  公开号：

  CN104774188B

文献信息

• PRODUCTION METHOD FOR ISOCYANATE COMPOUND
  申请人：National University Corporation Kobe University

  公开号：EP3882235A1

  公开（公告）日：2021-09-22

  The objective of the present invention is to provide a method for producing an isocyanate compound safely and efficiently. The method for producing an isocyanate compound according to the present invention is characterized in comprising the steps of irradiating a high energy light to a halogenated methane at a temperature of 15°C or lower in the presence of oxygen, and further adding a primary amine compound to be reacted without irradiating a high energy light.

  本发明的目的是提供一种安全有效地生产异氰酸酯化合物的方法。根据本发明生产异氰酸酯化合物的方法，其特征在于包括以下步骤：在有氧气存在的情况下，将高能光照射到温度为 15°C 或更低的卤代甲烷中，并在不照射高能光的情况下，进一步加入待反应的伯胺化合物。
• Ethylened polymer and molded object obtained therefrom
  申请人：Satoh Yasuo

  公开号：US20060135712A1

  公开（公告）日：2006-06-22

  An ethylene-based polymer which is an ethylene/C4 to C10 α-olefin copolymer and satisfies the following requirements [k1] to [k3]: [k1] melt flow rate (MFR) under a loading of 2.16 kg at 190° C. is in the range of 1.0 to 50 g/10 minutes; [k2] LNR defined as a scale of neck-in upon film molding is in the range of 0.6 to 1.4; and [k3] take-up speed at break [DS (m/min)] at 160° C. and melt flow rate (MFR) satisfy the following relationship (Eq-1): 12×MFR 0.577 ≦DS≦165×MFR 0.577 (Eq-1), and a thermoplastic resin composition containing the ethylene-based polymer, provide a molded product, preferably a film, excellent in moldability and mechanical strength. The ethylene-based polymer can be efficiently obtained by polymerization in the presence of an olefin polymerization catalyst formed from a solid carrier, (A) a solid transition metal catalyst component obtained by contacting (a) a compound of a transition metal of the group 4 in the periodic table, containing at least one ligand having a cyclopentadienyl skeleton, (b) an organoaluminum oxy compound, (c) a multifunctional organic halide, and if necessary (d) an organoaluminum compound, and if necessary (B) organoaluminum compound.

  一种乙烯基聚合物，它是一种乙烯/C4 至 C10 α-烯烃共聚物，并满足以下[k1]至[k3]的要求：[k1] 熔体流动速率（MFR）在 190 摄氏度、负载 2.16 千克的条件下，范围在 1.0 至 50 克/10 分钟之间；[k2] LNR 定义为薄膜成型时的缩颈比例，范围在 0.6 至 1.4 之间；以及 [k3] 160 摄氏度时的断裂收口速度[DS（米/分）]和熔体流动速率（MFR）满足以下关系式（公式-1）：12×MFR 0.577 ≦DS≦165×MFR 0.577 (式-1），以及含有乙烯基聚合物的热塑性树脂组合物，可提供模塑产品，最好是薄膜，具有优异的模塑性和机械强度。乙烯基聚合物可通过在由固体载体、(A)固体过渡金属催化剂组分、(B)有机铝氧化合物、(C)多功能有机卤化物和必要时(D)有机铝化合物以及必要时(B)有机铝化合物形成的烯烃聚合催化剂存在下进行聚合而有效地获得。
• Discovery of EBI-1051: A novel and orally efficacious MEK inhibitor with benzofuran scaffold
  作者：Biao Lu、Song Huang、Jingsong Cao、Qiyue Hu、Ru Shen、Hong Wan、Dan Wang、Jijun Yuan、Lei Zhang、Jiayin Zhang、Minsheng Zhang、Weikang Tao、Lianshan Zhang

  DOI：10.1016/j.bmc.2017.12.019

  日期：2018.2

  A novel series of benzodihydrofuran derivatives was developed as potent MEK inhibitors through scaffold hopping based on known clinical compounds. Further SAR exploration and optimization led to another benzofuran series with good oral bioavailability in rats. One of the compounds EBI-1051 (28d) demonstrated excellent in vivo efficacy in colo-205 tumor xenograft models in mouse and is suitable for preclinical development studies for the treatment of melanoma and MEK associated cancers. Compared to AZD6244, EBI-1051 showed superior potency in some cancer cell lines such as colon-205, A549 and MDA-MB-231.
• ——
  作者：Ulrike Wunderwald、Martin Hofrichter、Günter Kreisel、Wolfgang Fritsche

  DOI：10.1023/a:1008230926973

  日期：——

  The Penicillium frequentans strain Bi 7/2, using phenol as a sole source of carbon and energy, transformed the fluorinated phenols 2,3-, 2,4-, 2,5- and 3,4-difluorophenol rapidly. After growth on phenol, resting mycelia of the fungus converted the difluorophenols completely at an initial concentration of 0.5 mM within 6 hours. The corresponding difluorinated catechols were found to be intermediates of all difluorophenols investigated. A relatively unspecific phenol hydroxylase catalyzed this hydroxylation step and showed activities towards all difluorophenols tested. One difluorocatechol was formed from each difluorophenol substituted with fluorine in the ortho-position, whereas two catechols were formed from 3,4-difluorophenol, due to its two vacant ortho-positions. A partial defluorination (50-77%) was observed in all cases.
• US7208559B2
  申请人：——

  公开号：US7208559B2

  公开（公告）日：2007-04-24

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