仲丁基叔丁基硫醚 | 16900-03-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 仲丁基叔丁基硫醚
• 英文名称: tert.-Butyl-sek.-butyl-sulfid
• 英文别名: 3,5,5-Trimethyl-4-thiahexane；2-tert-butylsulfanylbutane
• CAS: 16900-03-1
• 化学式: C₈H₁₈S
• 分子量: 146.297
• InChiKey: GARAYLGABNDHRH-UHFFFAOYSA-N

物化性质

• 沸点：
  47 °C(Press: 9 Torr)
• 密度：
  0.836±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
• 保留指数：
  934;952;934;934

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  仲丁基叔丁基硫醚 在 sodium periodate 作用下， 以 甲醇 、 水 为溶剂， 生成 sec-butyl tert-butyl sulfoxide 、 sec-butyl tert-butyl sulfone
  参考文献：
  名称：

  Thermally initiated reactions of allyl sec-butyl sulfone. Observation of a [1,3]-allylic rearrangement

  摘要：

  DOI：

  10.1021/jo00213a010
• 作为产物：
  描述：

  2-丁硫醇 、 溴代叔丁烷 在 吡啶 、 zinc(II) oxide 作用下， 生成 仲丁基叔丁基硫醚
  参考文献：
  名称：

  Rajanikanth, B.; Ravindranath, B., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 11, p. 1043 - 1045

  摘要：

  DOI：

文献信息

• Thiazolyl mglur5 antagonists and methods for their use
  申请人：Cosford Nicholas D.

  公开号：US20090203903A1

  公开（公告）日：2009-08-13

  The identification of a unique series of compounds which possesses special advantages in terms of drug-like properties due to their possessing advantageous properties in terms of potency and/or pharmacokinetic and/or selectivity and/or in vivo receptor occupancy properties. Specifically, the selection of a 1,3-thiazol-2-yl ring member linked by an ethynylene to the 3 position of a pyridyl ring or the 5 position of a pyrimidinyl ring, wherein the ring is substituted with selected substituents, results in a compound having superior drug-like properties. The invention includes pharmaceutically acceptable salt forms of these heterocyclic compounds, in particular chloride salts and trifluoroacetate salts.

  一系列独特化合物的鉴定，由于它们在药物样性方面具有优势特性，包括在效力、药代动力学、选择性和体内受体占有性质方面具有优势特性。具体来说，选择一个由乙炔基连接到吡啶环的3位或嘧啶环的5位的1,3-噻唑-2-基环成员，其中环被选定取代基取代，将导致一种具有优越药物样性的化合物。该发明包括这些杂环化合物的药用盐形式，特别是氯化盐和三氟乙酸盐。
• Lithium-Titanium Exchange of Tertiary α-Sulfonyl Carbanions: Synthesis, Structure, Dynamics and Reactivity of Bis(1-sulfonylalkyl)titaniums
  作者：Thomas Heß、Gerhard Raabe、Hans-Joachim Gais

  DOI：10.1002/ejoc.201402896

  日期：2014.11

  stable at room temperature towards β-H elimination. They selectively add to benzaldehyde in the presence of acetophenone but do not react with methyl iodide. The reaction of tertiary acyclic α-sulfonyl carbanions with ClTi(OiPr)3 in tetrahydrofuran (THF) gives different titanium derivatives with unspecified structures, which not only selectively react with benzaldehyde in the presence of acetophenone

  叔α-磺酰基碳负离子与ClTi(OiPr)3 和Cl2Ti(OiPr)2 在乙醚中的锂-钛交换得到双（1-磺酰基烷基）钛，而不是相应的（1-磺酰基烷基）钛。二（异丙氧基）双[1-（苯磺酰基）环丁基]钛和二（异丙氧基）双[1-（苯磺酰基）异丙基]钛的X射线晶体结构分析显示不对称扭曲八面体配合物，具有六配位Ti原子，两个C- Ti 键、四个 Ti-O 键和两个四元 Ti-O-S-Cα 环。根据 1 H NMR 光谱，双(1-磺酰基环烷基)钛在室温下是非流动的。这表明手性双（1-磺酰基烷基）钛应该是构型稳定的。双（1-磺酰基烷基）钛在室温下对 β-H 消除是稳定的。它们在苯乙酮的存在下选择性地添加到苯甲醛中，但不与甲基碘反应。叔无环 α-磺酰基碳负离子在四氢呋喃 (THF) 中与 ClTi(OiPr)3 反应生成不同结构的钛衍生物，它们不仅在苯乙酮存在下选择性地与苯甲醛反应，而且还被甲基碘烷基化。
• COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：KANNA Shinichi

  公开号：US20110217636A1

  公开（公告）日：2011-09-08

  The present invention provides a colored curable composition including a phthalocyanine pigment, a dioxazine pigment, a dye, a polymerization initiator, a polymerizable compound and a solvent; and a colored curable composition including a phthalocyanine pigment, a dye multimer having a polymerizable group and a group derived from a dipyrromethene dye, a polymerization initiator, a polymerizable compound and a solvent.

  本发明提供了一种彩色可固化组合物，包括酞菁颜料、二氧化锰颜料、染料、聚合引发剂、可聚合化合物和溶剂；以及一种彩色可固化组合物，包括酞菁颜料、具有可聚合基团和源自二吡咯甲烷染料的染料多聚物、聚合引发剂、可聚合化合物和溶剂。
• Thiazolyl Mglur5 Antagonists and Methods for Their Use
  申请人：Cosford Nicholas D.

  公开号：US20110230526A1

  公开（公告）日：2011-09-22

  The identification of a unique series of compounds which possesses special advantages in terms of drug-like properties due to their possessing advantageous properties in terms of potency and/or pharmacokinetic and/or selectivity and/or in vivo receptor occupancy properties. Specifically, the selection of a 1,3-thiazol-2-yl ring member linked by an ethynylene to the 3 position of a pyridyl ring or the 5 position of a pyrimidinyl ring, wherein the ring is substituted with selected substituents, results in a compound having superior drug-like properties. The invention includes pharmaceutically acceptable salt forms of these heterocyclic compounds, in particular chloride salts and trifluoroacetate salts.

  本发明涉及一系列独特的化合物，由于它们具有优越的药物特性，因此具有优越的药物特性，包括效力和/或药代动力学和/或选择性和/或体内受体占有率特性。具体来说，选择一个1,3-噻唑-2-基环成员，通过乙炔基连接到吡啶环的3位或嘧啶环的5位，其中该环被选定的取代基取代，结果产生具有优越药物特性的化合物。本发明包括这些杂环化合物的药学上可接受的盐形式，特别是氯化物盐和三氟乙酸盐。
• THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE
  申请人：Cosford Nicholas D.

  公开号：US20120289696A1

  公开（公告）日：2012-11-15

  The identification of a unique series of compounds which possesses special advantages in terms of drug-like properties due to their possessing advantageous properties in terms of potency and/or pharmacokinetic and/or selectivity and/or in vivo receptor occupancy properties. Specifically, the selection of a 1,3-thiazol-2-yl ring member linked by an ethynylene to the 3 position of a pyridyl ring or the 5 position of a pyrimidinyl ring, wherein the ring is substituted with selected substituents, results in a compound having superior drug-like properties. The invention includes pharmaceutically acceptable salt forms of these heterocyclic compounds, in particular chloride salts and trifluoroacetate salts.

  本发明涉及一种独特的化合物系列的鉴定，由于这些化合物具有优越的药物性质，因此具有优越的效力、药代动力学、选择性和/或体内受体占用性质。具体而言，选择将1,3-噻唑-2-基环成员与乙炔基连接到吡啶环的3位或嘧啶环的5位，其中该环被选定的取代基取代，可得到具有优越药物性质的化合物。本发明包括这些杂环化合物的药用可接受盐形式，特别是氯化物盐和三氟乙酸盐。