2,4-二碘苯酚乙酸酯 | 36914-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 2,4-二碘苯酚乙酸酯
• 英文名称: acetic acid 2,4-diiodophenyl ester
• 英文别名: 2,4-diiodophenyl acetate；acetic acid-(2,4-diiodo-phenyl ester)；Essigsaeure-(2,4-dijod-phenylester)；2.4-Dijod-1-acetoxy-benzol；(2.4-Dijod-phenyl)-acetat；1,3-diiodo-4-acetoxybenzene；Phenol, 2,4-diiodo-, acetate；(2,4-diiodophenyl) acetate
• CAS: 36914-80-4
• 化学式: C₈H₆I₂O₂
• 分子量: 387.943
• InChiKey: KVMGMCWDIJHCJO-UHFFFAOYSA-N

物化性质

• 沸点：
  351.6±32.0 °C(Predicted)
• 密度：
  2.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-二碘苯酚乙酸酯 在 palladium diacetate copper(l) iodide 、 四丁基氟化铵 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 78.25h， 生成 4-Ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol
  参考文献：
  名称：

  苯并呋喃三聚体用于有机电致发光。

  摘要：

  通过两步合成程序已制备了​​四个线性苯并呋喃三聚体。将它们作为有机电致发光（OEL）的材料进行了测试。在第一阶段形成前体亚苯基亚乙炔低聚物，然后除去酚羟基保护基后，使用碱促进邻羟基亚苯基亚乙炔基向苯并呋喃的环化。乙酸酯和碳酸叔丁酯都被用作保护基。苯并呋喃上的叔丁基和正己基取代基用于调节溶解性，聚集性和成膜性。两个叔丁基可防止固态聚集，从而将发射光谱保持在可见光谱的蓝色区域。探索了叔丁基取代的苯并呋喃三聚体的OEL特性，并观察到蓝色发射。

  DOI：

  10.1002/chem.200305284
• 作为产物：
  描述：

  苯酚 在 碘 、 potassium iodide 作用下， 生成 2,4-二碘苯酚乙酸酯
  参考文献：
  名称：

  Brenans, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1901, vol. 132, p. 831,832

  摘要：

  DOI：

文献信息

• Synthesis and evaluation of simplified functionalized bongkrekic acid analogs
  作者：Satoshi Fujita、Masaki Suyama、Kenji Matsumoto、Atsushi Yamamoto、Takenori Yamamoto、Yuka Hiroshima、Takayuki Iwata、Arihiro Kano、Yasuo Shinohara、Mitsuru Shindo

  DOI：10.1016/j.tet.2018.01.018

  日期：2018.3

  Bongkrekic acid (BKA) is a strong inhibitor of adenine nucleotide translocase (ANT), inducing inhibition of adenosine triphosphate synthesis. We designed and synthesized simplified benzene-ring-containing BKA analogs. The key reaction is the one-pot double Sonogashira reaction, which forms the main skeleton. The analogs were efficiently synthesized in 8–10 longest linear sequence steps. This synthetic

  邦克里克酸（BKA）是腺嘌呤核苷酸转位酶（ANT）的强抑制剂，可诱导三磷酸腺苷合成的抑制。我们设计并合成了简化的含苯环的BKA类似物。关键反应是一锅法双重Sonogashira反应，它形成了主要骨架。这些类似物以8–10个最长的线性序列步长有效合成。该合成方法可用于制备具有不同碳链长度组合的其他类似物。此外，苯环上的烯丙氧基可以容易地被其他官能团取代。我们基于线粒体抑制作用的初步生物学评估表明，具有与BKA相同碳链长度的类似物具有很高的效价。尤其是，
• METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND
  申请人：Oda Seiji

  公开号：US20110275859A1

  公开（公告）日：2011-11-10

  A method for manufacturing a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups selected from the group consisting of an iodine atom, a bromine atom and a chlorine atom are bonded to an aromatic ring and the aromatic compound (A) does not have (c1) a group represented by the following formula (10): wherein A 1 represents a C1-C20 alkoxy group etc.; (g1) a C1-C20 alkyl group which may be substituted with a fluorine atom etc.; and (h1) a C2-C20 acyl group which may be substituted with a fluorine atom etc., at the neighboring carbon atom to the carbon atom to which the leaving group is bonded, with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) wherein the aromatic compound (B) is structurally different from the above-mentioned aromatic compound (A), one or two leaving groups selected from the group consisting of an iodine atom, a bromine atom and a chlorine atom are bonded to an aromatic ring and the aromatic compound (B) does not have the above-mentioned (c1), (g1) and (h1) at the neighboring carbon atom to the carbon atom to which the leaving group is bonded, in the presence of (i) a nickel compound, (ii) a metal reducing agent, (iii) at least one ligand (L1) selected from the group consisting of a 2,2′-bipyridine compound having at least one electron-withdrawing group and having no substituent at 3-, 6-, 3′- and 6′-positions, and a 1,10-phenanthroline compound having at least one electron-withdrawing group and having no substituent at 2- and 9-positions, and (iv) at least one ligand (L2) selected from the group consisting of a 2,2′-bipyridine compound having at least one electron-releasing group and having no substituent at 3-, 6-, 3′- and 6′-positions, and a 1,10-phenanthroline compound having at least one electron-releasing group and having no substituent at 2- and 9-positions.

  一种制备共轭芳香化合物的方法，包括将含有一个或两个离去基团的芳香化合物（A）与含有相同结构的上述芳香化合物（A）或结构不同的芳香化合物（B）反应，其中这些离去基团选自碘原子、溴原子和氯原子，与芳香环结合，而芳香化合物（A）没有以下式（10）所代表的基团：其中A1代表C1-C20烷氧基等；（g1）代表C1-C20烷基基团，可能被氟原子等取代；以及（h1）代表C2-C20酰基基团，可能被氟原子等取代，与离去基团结合的碳原子的相邻碳原子处没有上述（c1）、（g1）和（h1），在（i）镍化合物、（ii）金属还原剂、（iii）从2,2′-联吡啶化合物和1,10-邻菲啰啉化合物中选择的至少一种配体（L1），具有至少一个吸电子基团且在3-、6-、3′-和6′-位置没有取代基，以及（iv）从2,2′-联吡啶化合物和1,10-邻菲啰啉化合物中选择的至少一种配体（L2），具有至少一个释电子基团且在3-、6-、3′-和6′-位置没有取代基团的情况下，在上述离去基团结合的碳原子的相邻碳原子处进行反应。
• BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX
  申请人：Asaumi Taku

  公开号：US20100184978A1

  公开（公告）日：2010-07-22

  A bipyridine compound represented by the formula (1): wherein R 1 , R 2 and R 3 each independently represent a C1-C10 alkyl group which may be substituted etc., and R 4 , R 5 , R 6 , R 7 and R 8 each independently represent a hydrogen atom etc., a transition metal complex obtained by contacting a bipyridine compound represented by the formula (1) with a compound of a transition metal belonging to Group 9, 10 or 11, and a method for production of a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups are bonded to an aromatic ring with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) being structurally different from the above-mentioned aromatic compound (A) and having one or two leaving groups bonded to an aromatic ring, in the presence of the transition metal complex.

  一种以式(1)表示的联吡啶化合物：其中R1、R2和R3各自独立地表示可以被取代的C1-C10烷基等，而R4、R5、R6、R7和R8各自独立地表示氢原子等，通过将式(1)表示的联吡啶化合物与属于9、10或11族过渡金属的化合物接触而获得的过渡金属配合物，以及一种制备共轭芳香化合物的方法，包括在过渡金属配合物的存在下，将一个或两个离去基团与芳环结合的芳香化合物（A）与具有与上述芳香化合物（A）相同结构的芳香化合物（A）或结构不同于上述芳香化合物（A）且具有一个或两个离去基团与芳环结合的芳香化合物（B）反应。
• TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX
  申请人：Asaumi Taku

  公开号：US20110046336A1

  公开（公告）日：2011-02-24

  A transition metal complex obtained by contacting a bipyridine compound represented by the formula (1): wherein R 1 , R 2 and R 3 represent a C1-C10 alkyl group which may be substituted, etc., and R 4 and R 5 represent a hydrogen atom etc., with a compound of a transition metal belonging to Group 9, 10 or 11, and a process for producing a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups are bonded to an aromatic ring with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) being structurally different from the above-mentioned aromatic compound (A) and having one or two leaving groups bonded to an aromatic ring, in the presence of said transition metal complex.

  通过将式（1）所表示的联吡啶化合物与属于9、10或11族的过渡金属化合物接触而获得的过渡金属配合物，其中R1、R2和R3代表C1-C10烷基，可以被取代等，而R4和R5代表氢原子等。制备共轭芳香化合物的方法包括，在所述过渡金属配合物的存在下，将一个芳香化合物（A），其中一个或两个离去基团与芳香环相键合，与具有与上述芳香化合物（A）相同结构的芳香化合物（A）或在结构上不同于上述芳香化合物（A）并且具有一个或两个离去基团与芳香环相键合的芳香化合物（B）反应。
• TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2192124A1

  公开（公告）日：2010-06-02

  A transition metal complex obtained by contacting a bipyridine compound represented by the formula (1): wherein R1, R2 and R3 represent a C1-C10 alkyl group which may be substituted, etc., and R4 and R5 represent a hydrogen atom etc., with a compound of a transition metal belonging to Group 9, 10 or 11, and a process for producing a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups are bonded to an aromatic ring with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) being structurally different from the above-mentioned aromatic compound (A) and having one or two leaving groups bonded to an aromatic ring, in the presence of said transition metal complex.

  一种过渡金属配合物，通过与式 (1) 所代表的联吡啶化合物接触而获得： 其中 R1、R2 和 R3 代表可被取代的 C1-C10 烷基等，R4 和 R5 代表氢原子等、一种生产共轭芳香族化合物的工艺，包括在上述过渡金属配合物存在下，将一个或两个离去基团键合在芳香环上的芳香族化合物(A)与结构与上述芳香族化合物(A)相同的芳香族化合物(A)或结构不同于上述芳香族化合物(A)且一个或两个离去基团键合在芳香环上的芳香族化合物(B)反应。