2-fluoro-isophthalic acid dimethyl ester | 723334-03-0

• 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-fluoro-isophthalic acid dimethyl ester
• 英文别名: dimethyl 2-fluoroisophthalate；dimethyl 2-fluorobenzene-1,3-dicarboxylate
• CAS: 723334-03-0
• 化学式: C₁₀H₉FO₄
• 分子量: 212.177
• InChiKey: OSPJANZFCZYKEH-UHFFFAOYSA-N

物化性质

• 熔点：
  128-129 °C
• 沸点：
  294.1±30.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-fluoro-isophthalic acid dimethyl ester 在 potassium carbonate 、 三甲氧基磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 2-{4-[2-(4-iodophenyl)vinyl]phenoxy}-isophthalic acid dimethyl ester
  参考文献：
  名称：

  具有荧光信号的可锁定光驱动分子穿梭机。

  摘要：

  DOI：

  10.1002/anie.200453708
• 作为产物：
  描述：

  2,6-二甲基氟苯 在 potassium permanganate 、 氯化亚砜 、 水 作用下， 反应 12.0h， 生成 2-fluoro-isophthalic acid dimethyl ester
  参考文献：
  名称：

  Macrolactams by engineered biosynthesis

  摘要：

  大环内酰胺是通过将芳香族氨基酸作为替代起始单元供应给生产格尔达霉素的微生物链霉菌属湿生链霉菌格尔达努斯NRRL 3602的突变菌株制备的，其中编码天然起始单元3-氨基-5-羟基苯甲酸生物合成酶的基因簇已被删除。

  公开号：

  US20080188450A1

文献信息

• [EN] TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES TRICYCLIQUES OU SELS PHARMACEUTIQUEMENT ACCEPTABLES DE CES DERIVES, LEURS PREPARATIONS ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：JE IL PHARMACEUTICAL CO LTD

  公开号：WO2004113281A1

  公开（公告）日：2004-12-29

  The present invention relates to tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. More precisely, the present invention relates to tricyclic derivatives as colchicine derivatives, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. Tricyclic derivatives of the present invention show very powerful cytotoxicity to cancer cell lines but were much less toxic than colchicine or taxol, confirmed through animal toxicity test. Tricyclic derivatives of the invention also decrease the volume and weight of a tumor and have a strong angiogenesis inhibiting activity in HUVEC cells. Thus, tricyclic derivatives of the present invention can effectively be used as an anticancer agent, anti-proliferation agent and an angiogenesis inhibitor.

  本发明涉及三环衍生物或其药用盐，其制备以及含有它们的药物组合物。更准确地说，本发明涉及三环衍生物作为秋水仙碱衍生物，其药用盐，其制备以及含有它们的药物组合物。本发明的三环衍生物对癌细胞系表现出非常强大的细胞毒性，但比秋水仙碱或紫杉醇毒性要小得多，经动物毒性试验证实。本发明的三环衍生物还可以减小肿瘤的体积和重量，并且在HUVEC细胞中具有强大的抑制血管生成活性。因此，本发明的三环衍生物可以有效地用作抗癌剂、抗增殖剂和血管生成抑制剂。
• METHOD FOR PREPARING TRICYCLIC DERIVATIVES
  申请人：Kim Myung-Hwa

  公开号：US20120101296A1

  公开（公告）日：2012-04-26

  The present invention relates to a method for preparing a tricyclic derivative, and more particulary, to a method for preparing a tricyclic derivative inetermediate with high yield and purity, the method including: introducing a hydroxy group by esterifying and substituting 2-fluoroisophthalic acid compound; introducing a piperidyl group; introducing a hydroxy group through reduction reaction; and then hydrolyzing the resultant compound, and to a method for preparing the tricyclic derivative using said intermediate. According to the method of the present invention, it is possible to provide a tricyclic derivative and an intermediate thereof with high productivity and economic feasibility as well as high purity and yield, by purifying a compound using re-crystallization unlike typical methods of using column chromatography. In addition, the method of the present invention can be usefully used for industrial mass production because sodium borohydride or lithium aluminum hydride with low risk of a fire is used unlike typical methods of using lithium borohydride which is not industrially applicable due to high risk of a fire.

  本发明涉及一种制备三环衍生物的方法，更具体地，涉及一种制备高产率和纯度的三环衍生物中间体的方法，该方法包括：通过酯化和取代2-氟异苯二甲酸化合物引入一个羟基；引入一个哌啶基团；通过还原反应引入一个羟基；然后水解所得化合物，并且涉及使用该中间体制备三环衍生物的方法。根据本发明的方法，通过使用重新结晶而不是典型方法中的柱层析，可以提供高产率和经济可行性以及高纯度和收率的三环衍生物和其中间体。此外，本发明的方法可以用于工业大规模生产，因为使用的硼氢化钠或铝锂氢化物具有低火灾风险，而不像使用锂硼氢化物的典型方法那样由于火灾风险高而不适用于工业应用。
• Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them
  申请人：Kim Myung-Hwa

  公开号：US20070179143A1

  公开（公告）日：2007-08-02

  The present invention relates to tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. More precisely, the present invention relates to tricyclic derivatives as colchicine derivatives, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. Tricyclic derivatives of the present invention show very powerful cytotoxicity to cancer cell lines but were much less toxic than colchicine or taxol, confirmed through animal toxicity test. Tricyclic derivatives of the invention also decrease the volume and weight of a tumor and have a strong angiogenesis inhibiting activity in HUVEC cells. Thus, tricyclic derivatives of the present invention can effectively be used as an anticancer agent, anti-proliferation agent and an angiogenesis inhibitor.

  本发明涉及三环衍生物或其药学上可接受的盐、它们的制备方法以及含有它们的制药组合物。更具体地说，本发明涉及三环衍生物作为秋水仙素衍生物，药学上可接受的盐、它们的制备方法以及含有它们的制药组合物。本发明的三环衍生物对癌细胞株表现出非常强大的细胞毒性，但毒性比秋水仙素或紫杉醇要小得多，经动物毒性测试证实。本发明的三环衍生物还可以减少肿瘤的体积和重量，并在HUVEC细胞中表现出强大的抑制血管生成的活性。因此，本发明的三环衍生物可以有效地用作抗癌剂、抗增殖剂和抑制血管生成剂。
• Method for preparing tricyclic derivatives
  申请人：Kim Myung-Hwa

  公开号：US08742160B2

  公开（公告）日：2014-06-03

  The present invention relates to a method for preparing a tricyclic derivative, and more particularly, to a method for preparing a tricyclic derivative intermediate with high yield and purity, the method including: introducing a hydroxy group by esterifying and substituting 2-fluoroisophthalic acid compound; introducing a piperidyl group; introducing a hydroxy group through reduction reaction; and then hydrolyzing the resultant compound, and to a method for preparing the tricyclic derivative using said intermediate. According to the method of the present invention, it is possible to provide a tricyclic derivative and an intermediate thereof with high productivity and economic feasibility as well as high purity and yield, by purifying a compound using re-crystallization unlike typical methods of using column chromatography. In addition, the method of the present invention can be usefully used for industrial mass production because sodium borohydride or lithium aluminum hydride with low risk of a fire is used unlike typical methods of using lithium borohydride which is not industrially applicable due to high risk of a fire.

  本发明涉及一种制备三环衍生物的方法，更具体地，涉及一种制备高产率和高纯度的三环衍生物中间体的方法，该方法包括：通过酯化和取代2-氟异苯二甲酸化合物引入羟基；引入哌啶基；通过还原反应引入羟基；然后水解所得化合物，并且涉及使用该中间体制备三环衍生物的方法。根据本发明的方法，通过重新结晶纯化化合物而不是使用柱层析等典型方法，可以提供高产率和经济可行性以及高纯度和收率的三环衍生物和中间体。此外，本发明的方法可以用于工业大规模生产，因为使用钠硼氢化物或锂铝氢化物，其火灾风险较低，而不是使用锂硼氢化物这样的典型方法，因为锂硼氢化物由于火灾风险过高而不适用于工业应用。
• Metal complexes
  申请人：Stoessel Philipp

  公开号：US10103340B2

  公开（公告）日：2018-10-16

  The present invention relates to a compound of the formula (1), a process to prepare the compound of formula (1), a formulation containing the compound of formula (1) and an electronic device containing the compound of formula (1).

  本发明涉及一种式 (1) 的化合物、 制备式（1）化合物的工艺、含有式（1）化合物的配方和含有式（1）化合物的电子设备。