3-Thia-tricyclo[5.2.2.0^2,6]undeca-2(6),8-dien-5-one | 760212-08-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: 3-Thia-tricyclo[5.2.2.0^2,6]undeca-2(6),8-dien-5-one
• 英文别名: 4,7-Dihydro-4,7-ethano-1-benzothiophen-3(2H)-one；3-thiatricyclo[5.2.2.02,6]undeca-2(6),8-dien-5-one
• CAS: 760212-08-6
• 化学式: C₁₀H₁₀OS
• 分子量: 178.255
• InChiKey: AYIXCFUDQWBRLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  3-Thia-tricyclo[5.2.2.0^2,6]undeca-2(6),8-dien-5-one 在 potassium hexacyanoferrate(III) 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 0.17h， 生成 trans-thioindigo
  参考文献：
  名称：

  Thioindigo precursor: control of polymorph of thioindigo

  摘要：

  2,2'-Bi[-3(2H)-thioplienon]ylidene with two bicyclo[2.2.2]-octadiene moieties was quantitatively converted to thioindigo by the retro-Diels-Alder reaction. The thioindigo solid obtained from the precursor had the P2(1)/c structure which was different from the commercial thioindigo samples (P2(1)/n). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.028
• 作为产物：
  描述：

  Ethyl 3-(benzenesulfonyl)bicyclo[2.2.2]octa-2,5-diene-2-carboxylate 在 硫酸 sodium hydride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 生成 3-Thia-tricyclo[5.2.2.0^2,6]undeca-2(6),8-dien-5-one
  参考文献：
  名称：

  Thioindigo precursor: control of polymorph of thioindigo

  摘要：

  2,2'-Bi[-3(2H)-thioplienon]ylidene with two bicyclo[2.2.2]-octadiene moieties was quantitatively converted to thioindigo by the retro-Diels-Alder reaction. The thioindigo solid obtained from the precursor had the P2(1)/c structure which was different from the commercial thioindigo samples (P2(1)/n). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.028

文献信息

• INTERMEDIATE CHEMICAL SUBSTANCE IN PIGMENT CRYSTAL PRODUCTION STAGE, PROCESS FOR PRODUCING PIGMENT CRYSTAL FROM THE SAME, AND CRYSTALLINE PIGMENT
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1792950A1

  公开（公告）日：2007-06-06

  There is provided a method for producing pigment crystals with sufficiently high purity and sufficiently controlled crystal type, particle size, and aggregation property and dispersibility to obtain a pigment crystal that can be suitably used in both a solid phase and a liquid phase. The method for producing pigment crystals (S3) from a pigment precursor (S0) using retro Diels-Alder reaction, the method comprising producing the pigment crystals (S3) from the pigment precursor (S0) through a first displacement structure (S1) and a second displacement structure (S2), which differ from the pigment precursor (S0) and the pigment crystals (S3) and also differ from at least from each other.

  提供了一种生产颜料晶体的方法，能够获得高纯度、控制晶体类型、粒径和聚集性以及分散性的颜料晶体，以便在固态和液态中都能够适当使用。该方法通过反向Diels-Alder反应从颜料前体（S0）生产颜料晶体（S3），其中包括通过第一置换结构（S1）和第二置换结构（S2）从颜料前体（S0）生产颜料晶体（S3），这两种结构不同于颜料前体（S0）和颜料晶体（S3），并且至少彼此不同。
• Thioindigo precursor: control of polymorph of thioindigo
  作者：Hidemitsu Uno、Kana Moriyama、Takayuki Ishikawa、Noboru Ono、Hidenori Yahiro

  DOI：10.1016/j.tetlet.2004.10.028

  日期：2004.11

  2,2'-Bi[-3(2H)-thioplienon]ylidene with two bicyclo[2.2.2]-octadiene moieties was quantitatively converted to thioindigo by the retro-Diels-Alder reaction. The thioindigo solid obtained from the precursor had the P2(1)/c structure which was different from the commercial thioindigo samples (P2(1)/n). (C) 2004 Elsevier Ltd. All rights reserved.