isothiochroman-1-one | 25606-96-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异硫色满
• 英文名称: isothiochroman-1-one
• 英文别名: 1-isothiachromanone；2-thiochroman-1-one；Isothiochroman-1-on；2-Thiochroman-1-on；3,4-Dihydro-1H-2-benzothiopyran-1-one；3,4-dihydroisothiochromen-1-one
• CAS: 25606-96-6
• 化学式: C₉H₈OS
• mdl: MFCD01850934
• 分子量: 164.228
• InChiKey: XCSKMKLNIBUVPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  isothiochroman-1-one 、 乙烯基-锂 在 四氢呋喃 、 乙醚 作用下， 生成 3,4,7,8-Tetrahydro-2H-benzothiocin-4-on
  参考文献：
  名称：

  Synthesis of two benzothiacyclanones via a novel two-carbon ring expansion of thiolactones with vinyllithium

  摘要：

  DOI：

  10.1021/jo00835a056
• 作为产物：
  描述：

  2-乙烯基苯甲酸 在 4-二甲氨基吡啶 、 安息香双甲醚 、 水 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 对甲氧基苯乙酮 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 、 丙酮 为溶剂， 反应 22.33h， 生成 isothiochroman-1-one
  参考文献：
  名称：

  顺序式酰基硫醇-烯和硫磺内酯化法合成δ-硫代内酯

  摘要：

  已开发出一种从廉价且容易获得的γ-不饱和酯合成δ-硫代内酯的新策略。该策略将自由基酰基硫醇-烯反应纳入了关键的CS键形成步骤。通过5-巯基戊酸的Steglicch型硫内酯化来实现环化。我们报道了在温和的反应条件下，对中等官能团具有良好的收率的δ-硫代内酯的简便，可扩展合成，对一系列官能团具有耐受性。

  DOI：

  10.1021/acs.orglett.9b01271

文献信息

• Stable, cationically polymerizable/crosslinkable dental compositions having high filler contents
  申请人：Frances Jean-Marc

  公开号：US20050059752A1

  公开（公告）日：2005-03-17

  Stable, highly filled cationic dental compositions useful for the production of dental prostheses and dental restoration materials contain: (1) at least one compound which is reactive cationically when activated, advantageously at least one UV-and cationically reactive oxirane-functionalized silicone; (2) at least one dental filler, advantageously SiO 2 ; (3) at least one organic polymer or copolymer dispersant having an amine index less than or equal to 100 mg of potassium hydroxide per gram of dispersant, advantageously a polyurethane/acrylate copolymer or alkylammonium salt thereof; (4) at least one cationic photoinitiator, advantageously iodonium borate; and (5) optionally, at least one photosensitizer.

  稳定、高填充的阳离子牙科组合物，可用于制备牙科义齿和牙科修复材料，包含：(1)至少一种在激活时具有阳离子反应性的化合物，有利的是至少一种紫外线和阳离子反应性环氧基硅烷；(2)至少一种牙科填料，有利的是SiO2；(3)至少一种有机聚合物或共聚物分散剂，其胺指数小于或等于100毫克氢氧化钾/克分散剂，有利的是聚氨酯/丙烯酸酯共聚物或其烷基铵盐；(4)至少一种阳离子光引发剂，有利的是碘酸盐；(5)可选地，至少一种光敏剂。
• Stable cationically crosslinkable/polymerizable dental composition with a high filler content
  申请人：Frances Jean-Marc

  公开号：US20080287562A1

  公开（公告）日：2008-11-20

  Stable and substantially filled cationic dental compositions are described which include: (1) at least one cationically reactive compound (A); (2) at least one dental filler (B); (3) optionally, at least one dispersant (C) composed of at least one organic polymer or copolymer; (4) at least one cationic photoinitiator (D); and (5) optionally, at least one photosensitizer (E). The dental filler (B) is treated with at least one organosilicon coupling agent (F), and at least one compound (G). The organosilicon coupling agent (F) has at least one reactive function (rfA) directly linked to a silicon atom forming after activation of a chemical bond with the dental filler, and at least one reactive function (rfB) not directly linked to a silicon atom, forming after activation, a chemical bond with a reactive function (rfC) of the compound (G).

  本文介绍了一种稳定且填充充足的阳离子牙科组合物，其中包括：（1）至少一种阳离子反应化合物（A）；（2）至少一种牙科填充物（B）；（3）可选地，至少一种由至少一种有机聚合物或共聚物组成的分散剂（C）；（4）至少一种阳离子光引发剂（D）；以及（5）可选地，至少一种光敏剂（E）。牙科填充物（B）经过至少一种有机硅偶联剂（F）处理，以及至少一种化合物（G）。有机硅偶联剂（F）具有至少一个反应功能（rfA），直接连接到形成化学键的硅原子上，与牙科填充物发生作用；以及至少一个反应功能（rfB），在激活后不直接连接到硅原子，与化合物（G）的反应功能（rfC）形成化学键。
• Intermediates and colorants having primary hydroxyl enriched poly(oxyalkylene) moieties and their preparation
  申请人：MILLIKEN RESEARCH CORPORATION

  公开号：EP0437105A1

  公开（公告）日：1991-07-17

  Enhanced branched chain hydroxyl compounds are provided of formula wherein Y is the residue of an organic nucleophile, preferably an organic chromophore or an organic chromophore intermediate, and each Z is a poly(oxyalkylene) moiety having a molecular weight of from about 400-10,000 and containing at least one glycidol residue, wherein at least one of the primary oxy sites of said glycidol residue is linked preferably directly to a first epoxide residue of three or more carbons, and wherein said first epoxide residue is linked through a secondary oxy site preferably directly to a second epoxide residue having a primary terminal hydroxyl.

  增强型支链羟基化合物的结构式为 其中 Y 是有机亲核物的残基，最好是有机发色团或有机发色团中间体，每个 Z 是分子量约为 400-10,000 并含有至少一个缩水甘油残基的聚氧亚烷基、其中所述缩水甘油残基的至少一个伯氧基位点最好直接与具有三个或更多碳原子的第一环氧化物残基相连，并且所述第一环氧化物残基通过第二氧基位点最好直接与具有伯端羟基的第二环氧化物残基相连。
• Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation
  申请人：MILLIKEN RESEARCH CORPORATION

  公开号：EP0445926A2

  公开（公告）日：1991-09-11

  The process for chemically modifying metal-free, organic material for improving one or more properties thereof such as water dispersibility, compatibility with other organics, or increased chemical reactivity, wherein the process includes providing material with from 1-6 sulfonylhalide groups or sulfonate ester groups or mixtures thereof, and contacting the material under sulfonamido forming conditions with one or more reactants containing one or more poly(oxyalkylene) moieties, each of the reactants having from 1 to 4 functional amine groups, and each of the poly(oxyalkylene) moieties being comprised of from about 4 to about 200 epoxide reactant residues at least about 50 mole percent of which residues contain 2-4 carbons.

  化学改性无金属有机材料以改善其一种或多种特性（如水分散性、与其他有机物的相容性或更高的化学反应活性）的工艺，其中该工艺包括提供具有 1-6 个磺酰卤基团或磺酸酯基团或其混合物的材料、在磺酰胺形成条件下，将材料与含有一个或多个聚（氧烷基）分子的一个或多个反应物接触，每个反应物具有 1 至 4 个官能胺基团，每个聚（氧烷基）分子由约 4 至约 200 个环氧化物反应物残基组成，其中至少约 50 摩尔%的残基含有 2-4 个碳。
• Colorants and intermediates therefor having branched poly(oxyalkylene)moieties, and their manufacture
  申请人：MILLIKEN RESEARCH CORPORATION

  公开号：EP0529162A1

  公开（公告）日：1993-03-03

  Colorants and compositions useful as a fugitive or permanent colorant for a variety of substrates, or as intermediates for their manufacture, and having one or more improved properties of enhanced aqueous washability, compatibility with and non-extractibility from thermoplastic resins, or reactivity with resins having reactive functionality, said composition having the formula C(Z)₁₋₈ wherein:    C is the residue of a reactant having from 1-8 nucleophilic site residues to which the Z moieties are attached; said Z moieties containing at least about 60 weight percent of poly(oxyalkylene) which is comprised of (a) at least one glycidol residue segment of 2-6 glycidol residues attached to a nucleophilic site of C, wherein said poly(oxyalkylene) contains a total of from 2-20 glycidol residues, (b) and wherein said poly(oxyalkylene) further contains the residues of one or more other epoxide reactants of ethylene oxide (EO), propylene oxide (PO), or butylene oxide (BO), or mixtures thereof, wherein said poly(oxyalkylene) contains a total of from about 10 to about 600 of said EO, PO or BO residues, or mixtures thereof, at least about 75 mole percent of which are EO residues, (c) and with the provisions that the ratio of the total of - O-PO- and -O-BO- linkages of all glycidol residues to the total of all functional oxy linkages of said glycidol residues is less than one, and the molar ratio of EO residues to glycidol residues is from 4 to 75.

  着色剂和组合物，可用作各种基材的褪色剂或永久性着色剂，或用作其制造的中间体，并具有一种或多种改进特性，即增强的水洗性、与热塑性树脂的相容性和不萃取性，或与具有反应官能团的树脂的反应性，所述组合物具有式 C(Z)₁₋₈ 其中，C 是反应物的残余物，反应物具有 1-8 个亲核部位残余物，Z 分子与反应物相连；所述 Z 分子含有至少约 60% 的聚(氧亚烷基)，该聚(氧亚烷基)是一种具有反应官能团的树脂： C 是反应物的残留物，该反应物具有 1-8 个亲核位点残留物，Z 分子附着在该残留物上；所述 Z 分子含有至少约 60 重量百分比的聚氧亚烷基，该聚氧亚烷基由以下物质组成 (a) 至少一个由 2-6 个缩水甘油残基组成的缩水甘油残基段，该段连接到 C 的亲核位点，其中所述聚（氧烷基）总共包含 2-20 个缩水甘油残基、 (b) 其中所述聚（氧烷基）进一步含有环氧乙烷（EO）、环氧丙烷（PO）或环氧丁 烷（BO）的一种或多种其它环氧化物反应物或其混合物的残基，其中所述聚（氧烷 基）总共含有约 10 至约 600 个所述环氧乙烷、环氧丙烷或环氧丁烷残基或其混 合物，其中至少约 75 摩尔％为环氧乙烷残基、 (c) 并规定所有缩水甘油残基的-O-PO-和-O-BO-链节总数与所述缩水甘油残基的所有官能氧链节总数之比小于1，且环氧乙烷残基与缩水甘油残基的摩尔比为4至75。