pentaiodobenzoic acid | 64385-02-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 环羧酸
• 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: pentaiodobenzoic acid
• 英文别名: 2,3,4,5,6-Pentaiodobenzoic acid
• CAS: 64385-02-0
• 化学式: C₇HI₅O₂
• 分子量: 751.606
• InChiKey: LNLWJOZRHQPFML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  碳酸甲丙酯 、 pentaiodobenzoic acid 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以79%的产率得到
  参考文献：
  名称：

  五碘苯甲酸的 2-甲基吡啶盐：卤素键在形成晶体填料中的作用

  摘要：

  摘要 在N,N'-二甲基甲酰胺(2-MePyH)PIBA·DMF盐( 1 )中，五碘苯甲酸(PIBA)和2-甲基吡啶反应形成PIBA·DMF盐( 1 )，其结构通过X射线晶体学研究。1的结构包含 I⋯O 型卤素键的非共价相互作用，其能量通过量子化学计算进行估计。

  DOI：

  10.1134/s0022476621080096
• 作为产物：
  描述：

  Pentaiodobenzoylchlorid 在 水 作用下， 生成 pentaiodobenzoic acid
  参考文献：
  名称：

  Deacon,G.B.; Farquharson,G.J., Australian Journal of Chemistry, 1977, vol. 30, p. 1701 - 1713

  摘要：

  DOI：

文献信息

• PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACID AND METHOD OF SALT EXCHANGE FOR SALT THEREOF
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：EP1548002A1

  公开（公告）日：2005-06-29

  The present invention relates to a method for efficiently producing an aminoalkylsulfonic acid in an industrial scale, and provides    "a process for producing an aminoalkylsulfonic acid represented by the general formula [2]:    wherein R1 and R2 are each independently a hydrogen atom, an alkyl group, an aryl group or an aralkyl group; and R3 and R4 are each independently a hydrogen atom or an alkyl group, comprising reacting an aminoalkylsulfonate salt represented by the general formula [1]:    wherein M is an alkali metal atom, an organic ammonium ion or an ammonium ion; and R1 to R4 are the same as described above,    an aqueous solution thereof, or a solution dissolving any one of them in a water-soluble organic solvent, selected from alcohols having 1 to 3 carbon atoms, carboxylic acids having 2 to 12 carbon atoms and dimethylformamide, with an organic acid; and    a method of salt exchange for an aminoalkylsulfonate salt represented by the general formula [1']:    wherein M' is an alkali metal atom, an organic ammonium ion or an ammonium ion; and R1 and R4 are the same as described above, comprising reacting an aminoalkylsulfonate salt represented by the above general formula [2] with a hydroxide represented by the general formula [6]:         M'OH     [6]    wherein M' is the same as described above, in an alcohol or water".

  本发明涉及一种在工业规模上高效生产氨基磺酸的方法，并提供“一种生产由通式[2]表示的氨基磺酸的方法：其中R1和R2分别是氢原子、烷基、芳基或芳基烷基；R3和R4分别是氢原子或烷基的氨基磺酸盐发生反应所得的方法，通式[1]表示如下：其中M是碱金属原子、有机铵离子或铵离子；R1至R4与上述相同，其水溶液或将任何一种溶解于水溶性有机溶剂中的溶液，所选的有1至3个碳原子的醇、有2至12个碳原子的羧酸和二甲基甲酰胺，与有机酸反应；以及氨基磺酸盐交换的方法，通式[1']表示如下：其中M'是碱金属原子、有机铵离子或铵离子；R1和R4与上述相同，包括将上述通式[2]表示的氨基磺酸盐与通式[6]表示的氢氧化物发生反应：M'OH [6]其中M'与上述相同，在醇或水中”。
• PROCESS FOR PRODUCING ESTER COMPOUND
  申请人：Imazeki Shigeaki

  公开号：US20100324314A1

  公开（公告）日：2010-12-23

  PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.

  问题提供一种生产工业酯化合物的环保方法。 解决方案是一种生产酯化合物的方法，包括将羧酸和醇经过脱水缩合反应，使用一种不挥发的酸催化剂，然后通过将弱碱性物质与残留的酸催化剂接触来去除残留的酸催化剂。
• Inhibitors of serine proteases, particularly HCV NS3-NS4A protease
  申请人：——

  公开号：US20040018986A1

  公开（公告）日：2004-01-29

  The present invention relates to compounds that inhibit serine protease activity, particularly the activity of hepatitis C virus NS3-NS4A protease. As such, they act by interfering with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The invention further relates to compositions comprising these compounds either for ex vivo use or for administration to a patient suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a patient by administering a composition comprising a compound of this invention. The invention further relates to processes for preparing these compounds.

  本发明涉及抑制丝氨酸蛋白酶活性的化合物，特别是乙型肝炎病毒NS3-NS4A蛋白酶的活性。因此，它们通过干扰乙型肝炎病毒的生命周期来发挥作用，并且也可用作抗病毒剂。本发明还涉及包含这些化合物的组合物，用于体外使用或用于治疗HCV感染的患者。本发明还涉及通过给患者施用包含本发明化合物的组合物来治疗患者的HCV感染的方法。此外，本发明还涉及制备这些化合物的方法。
• FUNCTIONALIZED CALIBRANTS FOR SPECTROMETRY AND CHROMATOGRAPHY
  申请人：The Administrators of the Tulane Educational Fund

  公开号：US20200105513A1

  公开（公告）日：2020-04-02

  Calibrants and methods of making the same include using mixtures of multifunctional core compounds or multifunctional dendrimers that are functionalized to yield a set of discrete compounds which cover a range of collisional cross sections (CCSs) for calibrating ion mobility and variation in molecular weight to calibrate the mass to charge (m/z) measurements of mass spectrometry, as well as for calibrating tandem instruments that measure both dimensions. Methods of using the calibrants are also disclosed, such as in mass spectrometry.

  校准物和制备方法包括使用多功能核心化合物或多功能树状分子的混合物，这些化合物被官能化以产生一系列离子碰撞截面（CCSs）的离散化合物，以校准离子迁移和分子量变化，以校准质荷比（m/z）质谱测量的质量，并用于校准同时测量两个维度的串联仪器。还公开了使用校准物的方法，例如在质谱分析中。
• Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof
  申请人：Kimura Takuhiro

  公开号：US20050261370A1

  公开（公告）日：2005-11-24

  A process for producing an aminoalkylsulfonic acid of formula [2]: wherein R 1 and R 2 are each independently hydrogen, alkyl, aryl or aralkyl; and R 3 and R 4 are each independently hydrogen or alkyl, comprising reacting an aminoalkylsulfonate salt of formula [1]: wherein M is alkali metal, organic ammonium or ammonium ion; and R 1 to R 4 are as described above, an aqueous solution thereof, or a solution dissolving any one of them in a water-soluble organic solvent, selected from alcohols having 1 to 3 carbon, carboxylic acids having 2 to 12 carbon and dimethylformamide, with an organic acid; and a method of salt exchange for an aminoalkylsulfonate salt of formula [1′]: wherein M′ is alkali metal, organic ammonium or ammonium ion; and R 1 and R 4 are as described above, comprising reacting the aminoalkylsulfonate salt formula [2] with a hydroxide of formula [6]: M′OH  [6] wherein M′ is as described above, in alcohol or water.

  一种生产化学式[2]的氨基烷基磺酸的方法：其中R1和R2各自独立地表示氢、烷基、芳香基或芳基烷基；R3和R4各自独立地表示氢或烷基，包括反应化学式[1]的氨基烷基磺酸盐：其中M为碱金属、有机铵或铵离子；R1至R4如上所述，其水溶性有机溶剂中的水溶性溶液或溶解其中任何一种的溶液，所选的有机酸；以及化学式[1']的氨基烷基磺酸盐的盐交换方法：其中M'为碱金属、有机铵或铵离子；R1和R4如上所述，包括将氨基烷基磺酸盐化学式[2]与化学式[6]的氢氧化物反应：M'OH [6]，其中M'如上所述，在醇或水中。

表征谱图