2,4,6-trimethylbenzenesulphinic acid | 59057-35-1

• 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: 2,4,6-trimethylbenzenesulphinic acid
• 英文别名: 2,4,6-trimethylbenzenesulfinic acid；mesitylenesulfinic acid；Mesitylensulfinsaeure；2,4,6-trimethyl-benzenesulfinic acid；2,4,6-Trimethyl-benzolsulfinsaeure；Mesitylen-eso-sulfinsaeure
• CAS: 59057-35-1
• 化学式: C₉H₁₂O₂S
• 分子量: 184.259
• InChiKey: CGRMGOGJWHPCFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4,6-trimethylbenzenesulphinic acid 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 生成 Acetic acid (2E,6E,8E)-3,7-dimethyl-5-(2,4,6-trimethyl-benzenesulfonyl)-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,6,8-trienyl ester
  参考文献：
  名称：

  通过砜合成维生素A：C15砜路线。

  摘要：

  AbstractA Synthesis of vitamin A has been achieved by alkylating a β‐ionylidene‐ethyl (C15) aromatic sulfone with 1‐acetoxy‐3‐chlormethyl‐2‐butene (C5) followed by elimination of the corresponding sulfinic acid.

  DOI：

  10.1002/hlca.19760590207
• 作为产物：
  描述：

  1,3,5-三甲基-2-(2,4,6-三甲基苯基)磺酰基苯 在 四甲基氯化铵 作用下， 以 甲醇 为溶剂， 生成 2,4,6-trimethylbenzenesulphinic acid
  参考文献：
  名称：

  Horner,L.; Neumann,H., Chemische Berichte, 1965, vol. 98, p. 1715 - 1721

  摘要：

  DOI：

文献信息

• SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME
  申请人：KABUSHIKI KAISHA SHOFU

  公开号：US20190300552A1

  公开（公告）日：2019-10-03

  The present invention relate to a novel silane coupling agent and a medical and/or dental curable composition comprising the same. It is an object of the present invention to provide a novel silane coupling agent that imparts high affinity to a radical polymerizable monomer, thereby imparting high mechanical strength, flexibility and durability when used for a medical and/or dental curable composition, and an inorganic filler surface-treated with the novel silane coupling agent and a novel medical and/or dental curable composition. A silane coupling agent including repeating units such as a urethane bond and polyethylene glycol (ether bond) at a specific position is used.

  本发明涉及一种新型硅烷偶联剂以及包括该偶联剂的医用和/或牙科可固化组合物。本发明的目的是提供一种新型硅烷偶联剂，使其对自由基聚合单体具有高亲和力，从而在用于医用和/或牙科可固化组合物时赋予高机械强度、柔韧性和耐久性，并且包括经新型硅烷偶联剂表面处理的无机填料和新型医用和/或牙科可固化组合物。该硅烷偶联剂包括在特定位置具有尿素键和聚乙二醇（醚键）等重复单元。
• Why is cis / trans stereoinversion with Li + (THF) 4 migration across the phenyl ring of α-lithiostyrene accelerated by two ortho -methyl groups?
  作者：Rudolf Knorr、Ernst Lattke、Jakob Ruhdorfer、Kathrin Ferchland、Ulrich von Roman

  DOI：10.1016/j.tet.2018.01.047

  日期：2018.4

  Common wisdom might anticipate that two methyl groups placed on a molecular migration route should act as an impediment. However, the “conducted tour” migration of Li+(THF)4 across the aryl ring (“π-route”) during the cis/trans stereoinversion of α-arylvinyllithiums had been found to occur with practically equal velocities in the presence of either one or two ortho-alkyl substituents. We now report

  常识可能会认为，分子迁移路线上的两个甲基应成为障碍。然而，发现在存在以下两种情况下，α +芳基乙烯基锂的顺/反立体反转过程中，Li +（THF）4通过芳基环（“π-途径”）的“传导游走”迁移几乎以相同的速度发生。一个或两个邻烷基取代基。我们现在报道，两个邻甲基基团的缺失都会阻碍立体反转过程。为了得到标题问题的答案，我们研究了邻位，邻位的聚集平衡和微溶剂化状态。通过批准的二级NMR标准确定'-未取代的α-硫代苯乙烯。除了这些关于基态性质的必要知识外，我们提供的动力学证据表明，α-硫代苯乙烯的顺/反立体反转反应受阻，是通过具有Li +（THF）4迁移的拟单分子离子机理进行的。
• [EN] SOLID FORMS OF IMIDAZOPYRAZINE COMPOUNDS<br/>[FR] FORMES SOLIDES DE COMPOSÉS D'IMIDAZOPYRAZINE
  申请人：ACERTA PHARMA BV

  公开号：WO2018115965A1

  公开（公告）日：2018-06-28

  In some embodiments, the invention relates to crystalline solid forms, including polymorphs and salt forms, of (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5- a]pyrazin-1-yl)-2-methoxy-N-(pyridin-2-yl)benzamide. In some embodiments, the invention also relates to pharmaceutical compositions containing the crystalline solid forms, and methods for treating conditions or disorders by administering to a subject a pharmaceutical composition that includes the forms, including pharmaceutical compositions and methods for overcoming the effects of acid reducing agents.

  在某些实施例中，该发明涉及（S）-4-（8-氨基-3-（1-（丁-2-炔酰基）吡咯啉-2-基）咪唑[1,5-a]吡嗪-1-基）-2-甲氧基-N-（吡啶-2-基）苯甲酰的结晶固体形式，包括多型和盐形式。在某些实施例中，该发明还涉及含有这些结晶固体形式的药物组合物，以及通过向受试者施用包括这些形式的药物组合物来治疗疾病或疾病的方法，包括用于克服降酸剂影响的药物组合物和方法。
• From symmetrical tetrasulfides to trisulfide dioxides <i>via</i> photocatalysis
  作者：Kai Gong、Yilin Zhou、Xuefeng Jiang

  DOI：10.1039/d1gc03242a

  日期：——

  achieved symmetrical tetrasulfides. Stern–Volmer analysis and radical quenching experiments demonstrated the occurrence of a single electron transfer between the photocatalyst and sulfinic acid. Bioactive molecules such as the antihypertensive drug captopril, allicin derivatives, amino acids and terpenes were efficiently and reversibly linked through sulfur–sulfur covalent bonds. Furthermore, flow-setup syntheses

  已经建立了涉及光催化的直接策略，用于从容易获得的对称四硫化物获取三氧化二硫。Stern-Volmer 分析和自由基猝灭实验证明了光催化剂和亚磺酸之间发生了单电子转移。抗高血压药物卡托普利、大蒜素衍生物、氨基酸和萜烯等生物活性分子通过硫硫共价键高效可逆地连接。此外，在克规模上成功实现了二氧化三硫化物的流动设置合成，表明所开发的协议在实际工业应用中具有巨大潜力。
• DENTAL CEMENT
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20170135909A1

  公开（公告）日：2017-05-18

  The present invention provides a dental cement that exhibits excellent adhesiveness to dentin and has high mechanical strength. The present invention relates to a multi-part dental cement containing: an asymmetric acrylamide-methacrylic acid ester compound (a); an acid group-containing (meth)acrylic polymerizable monomer (b); a hydrophobic crosslinkable polymerizable monomer (c); a chemical polymerization initiator (d); and a filler (e). The asymmetric acrylamide-methacrylic acid ester compound (a) is represented by the following general formula (1): where X is an optionally substituted, linear or branched C 1 to C 6 aliphatic group or an optionally substituted aromatic group, the aliphatic group is optionally interrupted by at least one linking group selected from the group consisting of —O—, —S—, —CO—, —CO—O—, —O—CO—, —NR 1 —, —CO—NR 1 —, —NR 1 —CO—, —CO—O—NR 1 —, —O—CO—NR 1 —, and —NR 1 —CO—NR 1 —, and R 1 is a hydrogen atom or an optionally substituted, linear or branched C 1 to C 6 aliphatic group.

  本发明提供一种对牙本质具有良好粘附性并具有高机械强度的牙科水泥。本发明涉及一种含有多部分的牙科水泥，包括：一种不对称的丙烯酰胺-甲基丙烯酸酯化合物（a）；一种含酸基的（甲基）丙烯酸聚合单体（b）；一种疏水性交联聚合单体（c）；一种化学聚合引发剂（d）；和一种填料（e）。不对称的丙烯酰胺-甲基丙烯酸酯化合物（a）由以下一般式（1）表示：其中X是可选择取代的线性或支链的C1到C6脂肪族基团或可选择取代的芳香族基团，脂肪族基团可选择地被来自由—O—、—S—、—CO—、—CO—O—、—O—CO—、—NR1—、—CO—NR1—、—NR1—CO—、—CO—O—NR1—、—O—CO—NR1—和—NR1—CO—NR1—组成的至少一种连接基团中断，且R1是氢原子或可选择取代的线性或支链的C1到C6脂肪族基团。