2-Thiaadamantansulfon | 23504-97-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 2-Thiaadamantansulfon
• 英文别名: 2,2-dioxo-2λ⁶-thia-adamantane；2,2-Dioxo-2λ⁶-thia-adamantan；2lambda6-Thiatricyclo[3.3.1.13,7]decane 2,2-dioxide；2λ6-thiatricyclo[3.3.1.13,7]decane 2,2-dioxide
• CAS: 23504-97-4
• 化学式: C₉H₁₄O₂S
• 分子量: 186.275
• InChiKey: GYVAXXUCBSPUQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Thiaadamantansulfon 、 正丁基锂 以42%的产率得到
  参考文献：
  名称：

  JANKU J.; BURKHARD J.; VODICKA L., Z. CHEM. , 1975, 15, NO 10, 397

  摘要：

  DOI：
• 作为产物：
  描述：

  2-硫杂三环(3.3.1.1(3,7))癸烷 在 间氯过氧苯甲酸 作用下， 以 氘代氯仿 为溶剂， 生成 2-Thiaadamantansulfon
  参考文献：
  名称：

  The determination of sulfoxide configuration in six-membered rings using NMR spectroscopy and DFT calculations

  摘要：

  Cyclic six-membered ring sulfoxides and sulfones were prepared by a stepwise in situ oxidation of the corresponding sulfides with meta-chloroperbenzoic acid in an NMR tube. The oxidation was followed by NMR spectra and the H-1 and C-13 NMR data were collected. The geometries of all of the compounds were optimized using the DFT B3LYP/6-31G** method and the C-13 and H-1 NMR chemical shifts were calculated for geometry-optimized structures with the DFT B3LYP/6-31++G** method. The calculated C-13 NMR chemical shifts induced by oxidation (Delta delta values) are in very good agreement with the experimental data and can be used to determine the oxidation state of the sulfur atom (-S-, -SO-, -SO2-). The characteristic differences of the induced oxidation chemical shifts of carbon atoms at the alpha- and beta-position to sulfur were successfully used for distinguishing between the diastereoisomeric sulfoxides. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.02.001

文献信息

• Resin and resist composition
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US10766992B2

  公开（公告）日：2020-09-08

  A resin containing a structural unit derived from a compound represented by the formula (aa) wherein T, R1 and Z1 are defined in the specification.

  一种树脂，含有由式 (aa) 所示化合物衍生的结构单元 其中 T、R1 和 Z1 的定义见说明书。
• Sulfur Compounds in Kerosine Boiling Range of Middle East Crudes
  作者：S. F. Birch、T. V. Cullum、R. A. Dean、R. L. Denyer

  DOI：10.1021/ie50542a027

  日期：1955.2
• RESIN AND RESIST COMPOSITION
  申请人：Ichikawa Koji

  公开号：US20100323296A1

  公开（公告）日：2010-12-23

  A resin comprises a structural unit derived from a compound represented by the formula (aa) wherein T represents a C 4 to C 36 alicyclic hydrocarbon group, the hydrogen atom contained in the alicyclic hydrocarbon group may be replaced by a halogen atom, a hydroxyl group, a C 1 to C 12 alkyl group optionally substituted with a halogen atom or a hydroxyl group, a C 1 to C 12 alkoxyl group, a C 6 to C 12 aryl group, a C 7 to C 12 aralkyl group, a glycidyloxy group, a C 2 to C 4 acyl group, an alkoxycarbonyl group, an alkanoyloxyalkyl group or a cyano group, and the —CH 2 — contained in the alicyclic hydrocarbon group is replaced by at least one —SO 2 — and furthermore may be replaced by —CO—, —O—, —S—, —SO 2 — or —N(R c )—; R c represents a hydrogen atom or a C 1 to C 6 alkyl group; R 1 represents a hydrogen atom, a halogen atom, or a C 1 to C 6 alkyl group that may optionally has halogen atoms; and Z 1 represents an optionally substituted C 1 to C 17 saturated hydrocarbon group, and the —CH 2 — contained in the saturated hydrocarbon group may be replaced by —CO—, —O—, —S— or —N(R c )—.
• US9051405B2
  申请人：——

  公开号：US9051405B2

  公开（公告）日：2015-06-09
• JANKU J.; BURKHARD J.; VODICKA L., Z. CHEM. <ZECE-AL>, 1975, 15, NO 10, 397
  作者：JANKU J.、 BURKHARD J.、 VODICKA L.

  DOI：——

  日期：——