3-(isopropoxycarbonyl)benzoic acid | 742101-35-5

• 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: 3-(isopropoxycarbonyl)benzoic acid
• 英文别名: 3-propan-2-yloxycarbonylbenzoic acid
• CAS: 742101-35-5
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: KWHIQCFXUYGANZ-UHFFFAOYSA-N

物化性质

• 熔点：
  131-134 °C
• 沸点：
  352.4±25.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(isopropoxycarbonyl)benzoic acid 在 吡啶 、 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 反应 0.5h， 生成 2-acetyl-4-methylphenyl isopropyl isophthalate
  参考文献：
  名称：

  黄酮衍生物结合到GABA（A）受体的苯二氮卓位点的药效团模型的完善和评估。

  摘要：

  为了进一步开发和评估以前由Cook和他的同事提出的药效团模型（Drug Des.Discovery 1995，12，193-248），其用于与GABA（A）受体的苯二氮杂位点结合的配体，已经开发了40种新的黄酮衍生物。已经确定了它们的合成及其对苯并二氮杂site位点的亲和力。表征了配体和受体之间的两个空间排斥相互作用的新区域，并且已绘制出6-和3'-取代基附近的受体区域。显示了2'-羟基取代使亲和力显着增加，这是根据与先前提出的氢键接受位点A2的新型氢键相互作用来解释的。根据这些研究的结果和改进的药效团模型，5'-溴-2'-羟基-6-甲基黄酮，成功设计了迄今为止报道的最高亲和力的黄酮衍生物（K（i）= 0.9 nM）。已经比较了药效团模型与最近提出的替代模型（Marder；等人，Bioorg。Med。Chem。，2001，9，323-335）。

  DOI：

  10.1021/jm020839k
• 作为产物：
  描述：

  间苯二甲酸 、 异丙醇 在 硫酸 作用下， 以 四氢呋喃 为溶剂， 以46.5 %的产率得到3-(isopropoxycarbonyl)benzoic acid
  参考文献：
  名称：

  헤테로아릴 유도체 화합물 및 이의 용도

  摘要：

  本发明涉及异芳基衍生物及其用途。本发明的异芳基衍生物表现出对EGFR和/或HER2的优异抑制活性，因此可用作治疗与上述EGFR和/或HER2相关疾病的药物。

  公开号：

  KR20220156453A

文献信息

• Process for producing butene-1 polymer
  申请人：IDEMITSU PETROCHEMICAL CO. LTD.

  公开号：EP0249984A2

  公开（公告）日：1987-12-23

  This invention provides a process for producing a butene-1 polymer in the presence of a catalyst obtained from a solid catalyst component (A) prepared from a magnesium compound, an electron donating compound and a titanium compound, an organoaluminum compound (B) and an electron donating compound (C), said electron donating compound (C) being at least one compound selected from the group consisting of organophosphorus compound of the following general formula(1) and heterocyclic compound of the follwoing qeneral formula(2): . (wherein R1 and R2 each represents an alkyl, cycloalkyl or aryl group of 1-10 carbon atoms, X represents a halogen atom and m and n are real numbers which satisfy 0

  本发明提供了一种在催化剂存在下生产丁烯-1聚合物的工艺，催化剂由镁化合物、电子供体化合物和钛化合物制备的固体催化剂组分(A)、有机铝化合物(B)和电子供体化合物(C)组成，所述电子供体化合物(C)是至少一种选自以下通式(1)的有机磷化合物和以下通式(2)的杂环化合物组成的化合物： .(其中 R1 和 R2 分别代表 1-10 个碳原子的烷基、环烷基或芳基，X 代表卤素原子，m 和 n 是实数，满足 0
• Process for producing polybutene-1
  申请人：IDEMITSU PETROCHEMICAL CO. LTD.

  公开号：EP0294767A1

  公开（公告）日：1988-12-14

  Disclosed is a process for producing polybutene-1 suitable to be molded into pipes and the like by vapor phase polymerization in the presence of a catalyst obtained from (A) a solid catalyst component obtained from a magnesium compound, an electron donating compound and a halide of tetravalent titanium (B) an organoaluminum compound and (C) an electron donor wherein said solid catalyst component (A) has an average particle size of 5-200µm, a geometrical standard deviation (σ g) of particle size distribution of less than 2.1 and a molar ratio of electron donating compound/magnesium of 0.01 or more and said electron donor (C) is at least one compound selected from the group consisting of a heterocyclic compound represented by the formula: (wherein R¹, R², R³, R⁴ and R⁵ are as defined before), an ether compound represented by the formula:     R6nC(OR⁷)4-n      (2) (wherein R⁶ and R⁷ and n are as defined before) and an organic peroxide represented by the formula: (wherein R⁸, R⁹, R¹⁰ and R¹¹ are as defined), and the vapor phase polymerization is carried out at a molar ratio of hydrogen/butene-1 of 0.001-0.1.

  本发明公开了一种通过气相聚合生产聚丁烯-1 的工艺，该聚丁烯-1 适合在以下催化剂的存在下模塑成管道或类似物：(A) 由镁化合物、电子供体化合物和四价钛的卤化物组成的固体催化剂组分 (B) 有机铝化合物和 (C) 电子供体，其中所述固体催化剂组分 (A) 的平均粒径为 5-200µm，粒径分布的几何标准偏差 (σg)小于 2.1 且电子供体化合物/镁的摩尔比为 0.01 或更高，且所述电子供体 (C) 至少是一种选自以下组别的化合物：由式表示的杂环化合物： (其中 R¹、R²、R³、R⁴ 和 R⁵ 如前定义）、 由以下式子表示的醚化合物 R6nC(OR⁷)4-n (2) (其中 R⁶、R⁷ 和 n 如前定义）和由式表示的有机过氧化物： (其中 R⁸、R⁹、R¹⁰ 和 R¹¹ 如前定义），以及 气相聚合在氢/丁烯-1 的摩尔比为 0.001-0.1 的条件下进行。
• Composition of polybutene-1 and process for preparing same
  申请人：IDEMITSU PETROCHEMICAL COMPANY LIMITED

  公开号：EP0419874A2

  公开（公告）日：1991-04-03

  Disclosed is a composition of polybutene-1 comprised of a polymer resulting from preliminarily polymerization of a small amount of an α -olefin, which has an intrinsic viscosity [η ]p of 7 dl/gram or lower, as measured at 135°C in a decalin solution; and a homopolymer of butene-1 or a copolymer of butene-1 and 20% by weight of an α -olefin other than butene-1, the composition of polybutene-1 having an intrinsic viscosity [ η ]t of 0.5 - 7.0 dl/gram, when measured at 135 °C in a decalin solution, and satisfying the following relationship with respect to the intrinsic viscosity [η ]p: [η ]p ≦ 2.5 x [η ]r. The composition is prepared by preliminarily polymerizing the α -olefin in the presence of a catalyst obtainable from a solid catalyst component containing magnesium, a halogen and titanium, an organoaluminium compound and an electron donor to be added as needed, and hydrogen, yielding a polymer resulting from preliminary polymerization having the intrinsic viscosity [η ]p of 7 dl/gram or less, as measured at 135 °C in a decalin solution; and then by polymerizing butene-1 or a mixture of butene-1 and an α -olefin other than butene-1 with the polymer resulting from preliminary polymerization in the presence of the catalyst used in preliminary polymerization and a catalyst obtainable from the organoaluminium compound and the electron donor so as to contain the polymer resulting from preliminary polymerization at a rate ranging from 0.005% to 5.0% by weight with respect to the weight of the composition of polybutene-1. The composition provides resulting films with highly improved appearance and with a lesser number of gel and fish eyes.

  本发明公开了一种聚丁烯-1 的组合物，该组合物由少量 α - 烯烃初步聚合而成的聚合物组成，α - 烯烃的固有粘度[η ]p 为 7 分升/克或更低，在 135°C 的癸醛溶液中测量；以及丁烯-1 的均聚物或丁烯-1 与 20%（重量）除丁烯-1 之外的 α - 烯烃的共聚物，聚丁烯-1 的组成具有 0.5 - 7.0 分升/克，在 135 °C癸醛溶液中测量，并满足以下与固有粘度[η ]p 的关系：[η ]p ≦ 2.5 x [η ]r。本发明组合物的制备方法是：在含有镁、卤素和钛、有机铝化合物和电子供体的固体催化剂组分以及氢的存在下，使 α - 烯烃初步聚合，得到的初步聚合聚合物的固有粘度[η ]p 为 7 分升/克或更低，该粘度是在 135℃的癸醛溶液中测得的；然后将丁烯-1 或丁烯-1 和除丁烯-1 之外的 α 烯烃的混合物与初步聚合所得聚合物在初步聚合所用催化剂和可从有机铝化合物和电子供体中获得的催化剂存在下进行聚合，以便以 0.005% 至 5.0% （按聚丁烯-1 组合物重量计）。这种组合物所制成的薄膜外观大为改善，凝胶和鱼眼的数量也较少。
• Polypropylene composition comprising lubricants for calendering
  申请人：IDEMITSU PETROCHEMICAL CO., LTD.

  公开号：EP0744439A1

  公开（公告）日：1996-11-27

  A polypropylene resin composition is herein disclosed which is obtainable by blending (A) 100 parts by weight of a polypropylene resin comprising (a) 100 to 20% by weight of a homopolymer of propylene and/or a propylene copolymer containing 4% by weight or less of another olefin unit in which in a pentad fraction by 13C-NMR, [rrrr/(1-mmmm)]×100 is in the range of 20 to 60%, a Tm measured by a DSC is 150°C or more, and a melt enthalpy is 100 J/g or less, and (b) 0 to 80% by weight of a propylene copolymer containing 10 to 80% by weight of an olefin unit other than propylene, with (B) 0.01 to 5 parts by weight of an octyltin salt of a fatty acid, an alkylenebisfatty acid amide, a fatty acid ester of a polyvalent alcohol, or a metal salt of an aliphatic monocarboxylic acid. The employment of this polypropylene resin composition permits, under a good moldability by the calender molding machine, the manufacture of films and sheets having less thickness unevenness, excellent appearance and heat resistance and such flexibility as in molded articles of a plastic polyvinyl chloride.

  本文公开了一种聚丙烯树脂组合物，该组合物可通过混合以下物质获得：(A) 100 份（按重量计）聚丙烯树脂，该树脂包含(a) 100%至 20%（按重量计）的丙烯均聚物和/或丙烯共聚物，该丙烯均聚物和/或丙烯共聚物含有 4%（按重量计）或更少的另一种烯烃单元，在 13C-NMR 测量的五元组分中，[rrrr/(1-mmm)]×100 在 20%至 60%的范围内，通过 DSC 测量的 Tm 为 150°C 或更高，熔体焓为 100 J/g、[rrrr/(1-mmm)]×100在20%至60%的范围内，用DSC测量的Tm为150℃或以上，熔体焓为100焦耳/克或以下，以及(b)0至80%(重量)的丙烯共聚物，其中含有10%至80%(重量)的丙烯以外的烯烃单元，以及(B)0.01 至 5 份(重量)脂肪酸的辛基锡盐、亚烷基二脂肪酸酰胺、多价醇的脂肪酸酯或脂族单羧酸的金属盐。 使用这种聚丙烯树脂组合物，可以在压延成型机的良好成型条件下，制造出厚度不均匀度较小、外观和耐热性极佳的薄膜和片材，其柔韧性与聚氯乙烯塑料成型品相当。
• PROPYLENE RESIN COMPOSITION FOR INTERIOR MATERIAL FOR AUTOMOBILES, AND INTERIOR MATERIAL FOR AUTOMOBILES
  申请人：IDEMITSU PETROCHEMICAL CO., LTD.

  公开号：EP0784074A1

  公开（公告）日：1997-07-16

  There are here disclosed a propylene resin composition which can be used for the manufacture of automotive interior parts as a molding material having a good weld appearance, a less gloss unevenness, a good appearance performance and a low glossiness and permitting non-coating, and the automotive interior parts obtained from the composition. The propylene resin composition for the automotive interior parts of the present invention is a crystalline propylene polymer-containing composition having a specific melt index and relaxation time (τ) or a specific molecular-weight distribution index (PDI) in addition to these characteristics, or a propylene resin composition comprising the crystalline propylene polymer-containing composition, an inorganic filler and the like. The automotive interior parts of the present invention obtained by injection molding these compositions can suitably be used as installment panels, console boxes or trims.

  本发明公开了一种丙烯树脂组合物，该组合物可用于制造汽车内饰件，作为一种成型材料，具有良好的焊接外观、较少的光泽不均匀度、良好的外观性能和较低的光泽度，并且允许不涂覆，以及由该组合物获得的汽车内饰件。 本发明的汽车内饰件用丙烯树脂组合物是具有特定熔融指数和松弛时间（τ）或除这些特性外还具有特定分子量分布指数（PDI）的含结晶丙烯聚合物组合物，或者是由含结晶丙烯聚合物组合物、无机填料等组成的丙烯树脂组合物。本发明的汽车内饰件通过注塑这些组合物而获得，可适当用作安装面板、控制台盒或饰件。