sodium 2,4,6-triisopropylbenzenesulfinate | 60199-16-8

• 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: sodium 2,4,6-triisopropylbenzenesulfinate
• 英文别名: Sodium 2,4,6-tris(propan-2-yl)benzene-1-sulfinate；sodium;2,4,6-tri(propan-2-yl)benzenesulfinate
• CAS: 60199-16-8
• 化学式: C₁₅H₂₃O₂S*Na
• 分子量: 290.402
• InChiKey: WWYACYKHLMCNBG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium 2,4,6-triisopropylbenzenesulfinate 在 吡啶 、 正丁基锂 、 氯化亚砜 、 硫酸 、 silica gel 作用下， 以 二氯甲烷 为溶剂， 反应 5.33h， 生成 (S)-2-[(2,4,6-triisopropylphenyl)sulfinyl]-2-cyclopentenone
  参考文献：
  名称：

  Highly Diastereoselective Intermolecular β-Addition of Alkyl Radicals to Chiral 2-(Arylsulfinyl)-2-cycloalkenones

  摘要：

  The diastereoselectivity of intermolecular beta-addition of alkyl radicals to 2-(arylsulfinyl)-acycloalkenones depends largely upon the structure of the arylsulfinyl group. The reaction of a-cyclopentenones or 2-cyclohexenones having a sterically bulky arylsulfinyl group such as (3,5-di-tert-butyl-4-methoxyphenyl)-sulfinyl, (2,4,6-triisopropylphenyl)sulfinyl or (2,4,6-trimethylphenyl)-sulfinyl group gives 3-alkyl-2-(arylsulfinyl)-1-cyclopentanones or 3-alkyl-2-(arylsulfinyl)-1-cyclohexanones in excellent yields and with high diastereoselectivity. Both the X-ray crystallographic analysis and the NOE experiment in the H-1 NMR spectrum of (S)-2-[(2,4,6-triisopropylphenyl)-sulfinyl]- and (S)-2-[(2,4,6-trimethylphenyl)sulfinyl]-2-cyclopentenone reveal an effective shielding of one of the olefin faces at the beta-position by o-isopropyl and o-methyl groups. The addition of bidentate Lewis acids reverses the stereoselection through chelating the intermediates to give the addition products with high diastereoselectivity.

  DOI：

  10.1021/jo971093e
• 作为产物：
  描述：

  2,4,6-三异丙基苯磺酰氯 在 碳酸氢钠 、 sodium sulfite 作用下， 以 水 为溶剂， 以59 %的产率得到sodium 2,4,6-triisopropylbenzenesulfinate
  参考文献：
  名称：

  应变释放试剂的快速和可扩展的卤代磺酰化**

  摘要：

  描述了一种在实用、可扩展和温和的条件下进行的应变烃的一锅卤磺酰化反应。具有芳基、杂芳基和烷基取代基的磺酰卤是由亚磺酸盐和方便的卤素原子源原位生成的。这种化学能够合成一系列卤素/磺酰基取代的生物电子等排物和环丁烷，规模高达数十克。Hal=卤素。

  DOI：

  10.1002/anie.202213508

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。
• A practical synthesis of arylthiocyanates from arenesulfinates or arenesulfonyl chlorides with cyanotrimethylsilane.
  作者：Shinzo KAGABU、Keisuke SAWAHARA、Masaki MAEHARA、Sachiko ICHIHASHI、Katsuhiro SAITO

  DOI：10.1248/cpb.39.784

  日期：——

  Preparation of arylthiocyanates by simply mixing aromatic sulfinates with cyanotrimethylsilane (TMSCN) was achieved in good to moderate yields. The thiocyanates were also obtained directly from sulfonyl chloride using TMSCN, sodium sulfite, and potassium carbonate.

  芳基硫氰酸酯可通过简单地将芳香亚磺酸盐与氰基三甲基硅烷（TMSCN）混合，以较好至中等的产率制备得到。硫氰酸酯也可直接从磺酰氯使用 TMSCN、亚硫酸钠和碳酸钾制备获得。
• 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。
• DENTAL ADHESIVE
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20170196778A1

  公开（公告）日：2017-07-13

  The present invention provides a dental adhesive exhibiting excellent initial bond strength and bond durability to both enamel and dentin. The present invention relates to a dental adhesive containing: an asymmetric acrylamide-methacrylic acid ester compound (a); an acid group-containing (meth)acrylic polymerizable monomer (b); and a water-soluble polymerizable monomer (c). 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.

  本发明提供了一种牙科粘接剂，具有优异的初始粘接强度和对牙釉质和牙本质的粘接耐久性。本发明涉及一种含有以下成分的牙科粘接剂：不对称丙烯酰胺-甲基丙烯酸酯化合物（a）；含酸基的（甲基）丙烯酸聚合单体（b）；以及水溶性聚合单体（c）。不对称丙烯酰胺-甲基丙烯酸酯化合物（a）由下述一般式（1）表示：其中X是可选择取代的线性或支链状的C1到C6脂肪族基或可选择取代的芳香族基，所述脂肪族基可被来自由—O—、—S—、—CO—、—CO—O—、—O—CO—、—NR1—、—CO—NR1—、—NR1—CO—、—CO—O—NR1—、—O—CO—NR1—和—NR1—CO—NR1—组成的至少一个连接基中断，R1为氢原子或可选择取代的线性或支链状的C1到C6脂肪族基。
• [EN] BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS<br/>[FR] CO-INITIATEURS BIFONCTIONNELS ET POLYFONCTIONNELS DANS DES COMPOSITIONS DENTAIRES
  申请人：DENTSPLY DETREY GMBH

  公开号：WO2020099518A1

  公开（公告）日：2020-05-22

  A dental composition comprising (a) a polymerizable monomer; and (b) an initiator system comprising (b-1) a sensitizer or an oxidizing agent of a redox initiator system; and (b-2) a coinitiator of the following formula (I): Q-X (I) wherein Q and X are as defined in claim 1.

  一种包括（a）可聚合单体和（b）包括（b-1）感光剂或氧化剂的氧化还原引发剂体系以及（b-2）具有以下化学式（I）的共引发剂的牙科组合物：Q-X（I），其中Q和X如权利要求1中所定义。