benzyldimethylsulfonium | 45809-04-9

• 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: benzyldimethylsulfonium
• 英文别名: dimethylbenzylsulfonium；InChI=1/C9H13S/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/q+；benzyl(dimethyl)sulfanium
• CAS: 45809-04-9
• 化学式: C₉H₁₃S
• 分子量: 153.268
• InChiKey: DHXJFECNLYYCDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  二甲基硫 、 氯化苄 以 氯仿 为溶剂， 生成 benzyldimethylsulfonium
  参考文献：
  名称：

  Reactions of Charged Substrates. 4. The Gas-Phase Dissociation of (4-Substituted benzyl)dimethylsulfoniums and -pyridiniums

  摘要：

  The relative rates for the gas-phase dissociation RX(+) --> R(+) + X degrees of five (4-Y-substituted benzyl)-dimethysulfoniums (Y = MeO, Me, H, Cl, and NO2) and 24 (4-Y-substituted benzyl)-3'-Z-pyridiniums (complete series for Z = CN, Cl, CONH2, and H, and 4-methoxy- and 4-nitrobenzyls for Z = F and CH3CO) were measured using liquid secondary ion mass spectrometry. The Hammett plot (vs delta Delta G degrees or sigma(+)) is linear for the sulfoniums, but plots for the four pyridinium series have a drastic break between the 4-Cl and 4-NO2 substrates. Broinsted-like plots for the pyridiniums show a strong leaving group effect only for 4-nitrobenzyls. An analysis of these linear free energy relations with supporting evidence from semiempirical computations suggests that collisionally activated pyridinium substrates dissociate by two pathways, direct dissociation and through an ion-neutral complex intermediate. Comparison of these results with results for the solution reactions of some of these compounds shows that the mechanism is different in the gas and solution phases. Sufficient experimental data are not available to assign a mechanism for dissociation to the sulfonium series, but computational results show characteristics of a direct dissociative mechanism.

  DOI：

  10.1021/jo951257w

文献信息

• ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE
  申请人：Ishitsuka Kenichi

  公开号：US20130037753A1

  公开（公告）日：2013-02-14

  Disclosed is an organic electronic material comprising charge transporting compounds and ionic compounds having electron-accepting properties and high solubility in a solvent. The organic electronic material is characterized by comprising charge transporting compounds and ionic compounds, and in that at least one of the ionic compounds is any one kind of compounds represented by general formulas (1b)-(3b). (In the formulas Y 1 -Y 6 each independently represent a divalent linking group, R 1 -R 6 each independently represent an electron-attracting organic substituent (these structures can further have substituents and hetero-atoms, and R 1 , R 2 and R 3 , or, R 4 -R 6 can respectively combine and become a ring shape or a polymer shape) and L + represents a monovalent cation.)

  本文揭示了一种有机电子材料，包括具有电荷传输化合物和具有接受电子性质且在溶剂中具有高溶解度的离子化合物。该有机电子材料的特点在于包括电荷传输化合物和离子化合物，并且至少其中一个离子化合物是由通用式（1b）-（3b）表示的化合物中的任意一种。（在式中，Y1-Y6分别表示二价连接基团，R1-R6分别表示吸引电子的有机取代基（这些结构可以进一步具有取代基和杂原子，且R1、R2和R3，或者R4-R6可以分别结合形成环状或聚合物形状），L+表示一价阳离子。）
• CURABLE COMPOSITION AND CURED ARTICLE USING SAME
  申请人：SAN-APRO LTD.

  公开号：US20180329297A1

  公开（公告）日：2018-11-15

  The heat- or energy ray-curable composition for members contains an onium gallate salt having a specific structure. The invention is a heat- or energy ray-curable composition comprising a cationic polymerizable compound and an acid generator containing an onium gallate salt represented by general formula (1). In formula (1), R 1 -R 4 are each independently an alkyl group having 1 to 18 carbon atoms or Ar; however, at least one is Ar; Ar is an aryl group having 6 to 14 carbon atoms (not including the number of carbon atoms in the following substituents); some of the hydrogen atoms in the aryl group may be substituted by alkyl groups having 1 to 18 carbon atoms or the like; E represents an element of valence n of group 15 to group 17 (IUPAC notation); n is an integer of 1-3; and R 5 is an organic group bonded to E.

  该成员的热固化或能量光固化组合物包含具有特定结构的酚酸盐。该发明是一种热固化或能量光固化组合物，包括阳离子可聚合化合物和含有由通式（1）表示的酚酸盐的酸发生剂。在通式（1）中，R1-R4分别是具有1至18个碳原子的烷基基团或Ar；但至少有一个是Ar；Ar是具有6至14个碳原子的芳基团（不包括以下取代基中的碳原子数）；芳基团中的一些氢原子可以被具有1至18个碳原子的烷基基团或类似物所取代；E表示15族到17族（IUPAC符号）的n价元素；n是1-3的整数；R5是与E结合的有机基团。
• Novel Fluorinated Alkyl Fluorophosphoric Acid Salts of Onium and Ttransition Metal Complex
  申请人：Kimura Hideki

  公开号：US20070225458A1

  公开（公告）日：2007-09-27

  To obtain a polymerization initiator (acid generating agent) having excellent power for initiation of cationic polymerization without containing arsenic or antimony. [Means for solution] Provided is a specific onium salt or transition metal complex salt of a fluorinated alkyl fluorophosphoric acid.

  获取一种聚合引发剂（酸发生剂），具有优异的阳离子聚合引发能力，不含砷或锑。[解决方案的手段] 提供了一种特定的氟化烷基氟磷酸的烷基铵盐或过渡金属配合物盐。
• IN VIVO METHODS OF MONITORING BIODISTRIBUTION
  申请人：Bovin Nikolai Vladimirovich

  公开号：US20140161723A1

  公开（公告）日：2014-06-12

  Functional-lipid constructs of the structure F-S-L are disclosed, wherein F comprises a tyrosine or histidine residue, S is a spacer covalently linking F to L and L is a lipid. The functional residue may be iodinated and used to radiolabel a biological entity with 1251 and the iodinated constructs are used in a non-invasive method of monitoring the distribution of a biological entity in vivo.

  本发明揭示了结构为F-S-L的功能脂质构造体，其中F包括酪氨酸或组氨酸残基，S是将F与L共价连接的间隔物，而L是脂质。功能残基可以被碘化，并用于用1251放射标记生物实体，而碘化构造体则用于非侵入性方法来监测生物实体在体内的分布。
• SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF
  申请人：Suzuki Issei

  公开号：US20110039205A1

  公开（公告）日：2011-02-17

  An object of the present invention is to provide a sulfonium salt that has sufficient photosensitivity by active energy rays, such as visible light, ultraviolet rays, electron beams, and X-rays. The present invention is a sulfonium salt represented by formula (1). It is noted that R 1 is a group represented by formula (2); R 2 and R 3 each represent an aryl group having 6 to 30 carbon atoms, a heterocyclic hydrocarbon group having 4 to 30 carbon atoms, an alkyl group having 1 to 30 carbon atoms, an alkenyl group having 2 to 30 carbon atoms, or an alkynyl group having 2 to 30 carbon atoms; X − represents a monovalent polyatomic anion; R 4 to R 6 each represent an alkyl group, or the like; k represents an integer of 0 to 4; m represents an integer of 0 to 3; n represents an integer of 0 to 4; and A represents a group represented by —S—, —O—, —SO—, —SO 2 —, or —CO—.

  本发明的目的是提供一种具有足够光敏度的烷基硫鎓盐，能够通过活性能量射线，如可见光、紫外线、电子束和X射线来激发。本发明是一种由式（1）表示的烷基硫鎓盐。其中，R1是由式（2）表示的基团；R2和R3分别表示具有6至30个碳原子的芳基基团、具有4至30个碳原子的杂环烃基团、具有1至30个碳原子的烷基基团、具有2至30个碳原子的烯基基团或具有2至30个碳原子的炔基基团；X-表示单价多原子阴离子；R4至R6分别表示烷基基团或类似物；k表示0至4的整数；m表示0至3的整数；n表示0至4的整数；A表示由—S—、—O—、—SO—、—SO2—或—CO—表示的基团。

表征谱图