4,4'-(propane-2,2-diyl)dibenzenethiol | 13222-17-8

• 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: 4,4'-(propane-2,2-diyl)dibenzenethiol
• 英文别名: Benzenethiol, 4,4'-(1-methylethylidene)bis-；4-[2-(4-sulfanylphenyl)propan-2-yl]benzenethiol
• CAS: 13222-17-8
• 化学式: C₁₅H₁₆S₂
• 分子量: 260.424
• InChiKey: DIFMOXDTKAEVHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-(propane-2,2-diyl)dibenzenethiol 在 氢氧化钾 、 caesium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 14.0h， 生成 4,4'-isopropylidenebis(thiophenoxyacetic acid)
  参考文献：
  名称：

  Molecular Recognition of .beta.-Ribofuranosides by Synthetic Polypyridine-Macrocyclic Receptors

  摘要：

  Artificial ribofuranoside receptors were designed and synthesized. The design of the polypyridine-macrocyclic receptors was based on the multipoint hydrogen bond complementarity between the receptors and methyl beta-D-ribofuranoside. The binding affinity of the receptors for the ribofuranoside in CDCl3 was very high (up to K-a = 5.2 x 10(3) M(-1)), so that even native ribose was extracted by them into such nonpolar solvents. Selective extraction of ribose by the receptors\was observed: the extractabilities, or affinities to the receptors of various pentoses and hexoses decreased in the following order: ribose > deoxyribose congruent to lxyose congruent to xylose > fructose > arabinose > glucose congruent to mannose congruent to galactose. The selectivity is governed by the OH direction and the whole size of the sugars as well as their shapes. Furthermore, fluorescence emission of the receptors was largely enhanced in the presence of methyl beta-D-ribofuranoside or ribose, and the degree for the fluorescence enhancement by the addition of various sugars was almost compatible with that of the extractabilities. The polypyridine-macrocycles represent rationally designed multifunctional artificial receptors for ribofuranosides.

  DOI：

  10.1021/ja00155a006
• 作为产物：
  描述：

  双酚A 在 氢氧化钾 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 25.5h， 生成 4,4'-(propane-2,2-diyl)dibenzenethiol
  参考文献：
  名称：

  Molecular Recognition of .beta.-Ribofuranosides by Synthetic Polypyridine-Macrocyclic Receptors

  摘要：

  Artificial ribofuranoside receptors were designed and synthesized. The design of the polypyridine-macrocyclic receptors was based on the multipoint hydrogen bond complementarity between the receptors and methyl beta-D-ribofuranoside. The binding affinity of the receptors for the ribofuranoside in CDCl3 was very high (up to K-a = 5.2 x 10(3) M(-1)), so that even native ribose was extracted by them into such nonpolar solvents. Selective extraction of ribose by the receptors\was observed: the extractabilities, or affinities to the receptors of various pentoses and hexoses decreased in the following order: ribose > deoxyribose congruent to lxyose congruent to xylose > fructose > arabinose > glucose congruent to mannose congruent to galactose. The selectivity is governed by the OH direction and the whole size of the sugars as well as their shapes. Furthermore, fluorescence emission of the receptors was largely enhanced in the presence of methyl beta-D-ribofuranoside or ribose, and the degree for the fluorescence enhancement by the addition of various sugars was almost compatible with that of the extractabilities. The polypyridine-macrocycles represent rationally designed multifunctional artificial receptors for ribofuranosides.

  DOI：

  10.1021/ja00155a006

文献信息

• CARBONATE DERIVATIVE PRODUCTION METHOD
  申请人：NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY

  公开号：US20200079723A1

  公开（公告）日：2020-03-12

  The objective of the present invention is to provide a method for producing a carbonate derivative in a safe and efficient manner. The method for producing a carbonate derivative according to the present invention is characterized in comprising irradiating light on a composition containing a C 1-4 halogenated hydrocarbon having one or more kinds of halogen atoms selected from the group consisting of a chlorine atom, a bromine atom and an iodine atom, a nucleophilic functional group-containing compound and the specific base in the presence of oxygen.

  本发明的目的是以安全高效的方式提供生产碳酸酯衍生物的方法。根据本发明的生产碳酸酯衍生物的方法的特征在于，在含有一种或多种来自氯原子、溴原子和碘原子组成的卤素原子的C1-4卤代烃、含有亲核功能基团的化合物和特定碱的组合物中，在氧气存在下照射光线。
• Synthesis of Electron‐Deficient Corona[5]arenes and Their Selective Complexation with Dihydrogen Phosphate: Cooperative Effects of Anion–π Interactions
  作者：Shen‐Yi Guo、Qing‐Hui Guo、Shuo Tong、Mei‐Xiang Wang

  DOI：10.1002/anie.201915839

  日期：2020.5.18

  the different bridging units. As electron‐deficient macrocycles, the acquired corona[3]arene[2]tetrazines served as highly selective hosts, forming complexes with the hydrogen‐bonded dimer of dihydrogen phosphate through cooperative anion–π interactions.

  这里报道的是电晕[5]芳烃的合成，构象结构，电化学性质和非共价阴离子结合。（3 + 2）片段偶联反应在温和的反应条件下有效进行，产生了许多新颖的杂原子和亚甲基桥接的电晕[3]芳烃[2]四嗪大环。两个亚苯基环之间的硫原子的选择性氧化可提供高产率的亚砜和砜连接的电晕[5]芳烃。合成的所有电晕[5]芳烃都采用相似的1,2,4-交替构象结构，形成五边形空腔。腔尺寸和电子性能（例如氧化还原电势）用CV和DPV测量，并受不同桥接单元的影响。作为缺乏电子的大环，获得的电晕[3]芳烃[2]四嗪用作高选择性主体，
• Corona[5]arenes Accessed by a Macrocycle-to-Macrocycle Transformation Route and a One-Pot Three-Component Reaction
  作者：Zhi-Chen Wu、Qing-Hui Guo、Mei-Xiang Wang

  DOI：10.1002/anie.201703008

  日期：2017.6.12

  Corona[5]arenes, a novel type of macrocyclic compound that is composed of alternating heteroatoms and para‐arylenes, were synthesized efficiently by two distinct methods. In a macrocycle‐to‐macrocycle transformation approach, S6‐corona[3]arene[3]tetrazine underwent sequential SNAr reactions with HS‐C6H4‐X‐C6H4‐SH (X=S, CH2, CMe2, SO2, and O) to produce the corresponding corona[3]arene[2]tetrazines

  电晕[5]芳烃是一种由交替的杂原子和对亚芳基交替组成的新型大环化合物，可通过两种不同的方法有效地合成。在从大环到大环的转化方法中，S 6-电晕[3]芳烃[3]四嗪与HS-C 6 H 4 -X-C 6 H 4 -SH进行顺序的S N Ar反应（X = S，CH 2，CMe 2，SO 2和O）生成相应的电晕[3]芳烃[2]四嗪。还可以通过HS-C 6 H 4的单锅三组分反应以直接的方式构建不同的电晕[3]芳烃[2]四嗪化合物‐X‐C 6 H 4 ‐SH（X = S，CH 2，CMe 2，SO 2和O）与2,5-二巯基对苯二甲酸二乙酯和2当量的3,6-二氯四嗪在非常温和的条件下。所有电晕[5]芳烃在晶体状态下均采用1,2,4-交替构象结构，产生相似的近乎规则的五边形腔。所获得的大环的腔尺寸和电子性质都通过桥接元素X的性质进行了微调。
• NOVEL CYCLIC COMPOUND AND OPTICAL MATERIAL COMPOSITION INCLUDING SAME
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20170334876A1

  公开（公告）日：2017-11-23

  One embodiment of the present invention can provide an optical material composition that includes a cyclic compound that is represented by formula (1) and an episulfide that is represented by formula (2). Another embodiment of the present invention can provide an optical material production method that includes a step wherein, with respect to the total amount of the optical material composition, 0.0001-10 mass % of a polymerization catalyst is added to the optical material composition and the optical material composition is polymerization cured. (In formula (2), m is an integer from 0 to 4, and n is an integer from 0 to 2.)

  本发明的一个实施例可以提供一种光学材料组合物，其中包括由式（1）表示的环状化合物和由式（2）表示的环氧硫化物。本发明的另一个实施例可以提供一种光学材料生产方法，其中包括一步，其中，在光学材料组合物的总量中，添加0.0001-10质量％的聚合催化剂到光学材料组合物中，并对光学材料组合物进行聚合固化。（在式（2）中，m是0到4的整数，n是0到2的整数。）
• NOVEL EPISULFIDE COMPOUND AND OPTICAL MATERIAL COMPOSITION CONTAINING SAME
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20170247351A1

  公开（公告）日：2017-08-31

  According to the present invention, it is possible to provide an optical material composition that contains an episulfide compound represented by formula (1) and an episulfide compound represented by formula (2). According to this optical material composition, it is possible to suppress a reduction in the yield rate caused by molding defects, and possible to obtain an optical material having excellent dyeability. (In formula (1), m and p are each an integer between 0 and 4, and n and q are each an integer between 0 and 2.) (In formula (2), m is an integer between 0 and 4 and n is an integer between 0 and 2.)

  根据本发明，可以提供一种含有由式（1）表示的环硫醚化合物和由式（2）表示的环硫醚化合物的光学材料组合物。根据这种光学材料组合物，可以抑制由成型缺陷引起的产率降低，并且可以获得具有优异染色性能的光学材料。（在式（1）中，m和p分别是介于0和4之间的整数，n和q分别是介于0和2之间的整数。）（在式（2）中，m是介于0和4之间的整数，n是介于0和2之间的整数。）