Cyclohexen-4-yltosylat | 26431-20-9

• 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: Cyclohexen-4-yltosylat
• 英文别名: 3-Cyclohexenyl tosylate；cyclohex-3-en-1-yl 4-methylbenzenesulfonate
• CAS: 26431-20-9
• 化学式: C₁₃H₁₆O₃S
• 分子量: 252.334
• InChiKey: FHYKDZZOXWTUOA-UHFFFAOYSA-N

物化性质

• 熔点：
  50-50.5 °C(Solv: ligroine (8032-32-4))
• 沸点：
  382.9±31.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2,2-三氟乙醇 、 Cyclohexen-4-yltosylat 以 水 为溶剂， 生成 4-(2,2,2-Trifluoro-ethoxy)-cyclohexene
  参考文献：
  名称：

  Competition between modes of solvolytic participation in 3-cyclopentenyl tosylate

  摘要：

  DOI：

  10.1021/ja00345a048
• 作为产物：
  描述：

  1,4-环己二醇 生成 Cyclohexen-4-yltosylat
  参考文献：
  名称：

  Gupta, B. Dass; Das, Indira; Dixit, Vandana, Journal of Chemical Research, Miniprint, 1992, # 9, p. 2409 - 2446

  摘要：

  DOI：

文献信息

• Free Radical Pathway Cleavage of C—O Bonds for the Synthesis of Alkylboron Compounds
  作者：Xi Lu、Zhen‐Qi Zhang、Lu Yu、Ben Zhang、Bing Wang、Tian‐Jun Gong、Chang‐Lin Tian、Bin Xiao、Yao Fu

  DOI：10.1002/cjoc.201800500

  日期：2019.1

  polarized alkyl tosylate C—O bonds to the fairly limited number of C—O bonds able to participate in free radical cleavage pathways. The mechanistic studies suggested that in situ‐generated silver(0) catalytic species were the active catalytic species and played a key role in the radical pathway cleavage of C—O bonds.

  我们报告了烷基甲苯磺酸盐的银催化的硼酸酯化反应，这为合成具有良好官能团相容性和优异化学选择性的烷基硼化合物提供了一种新方法。目前的工作在能够参与自由基裂解途径的相当有限数量的C-O键上增加了高度极化的甲苯磺酸烷基酯C-O键。机理研究表明，原位生成的silver（0）催化物种是活性催化物种，并且在C-O键的自由基途径裂解中起关键作用。
• Homolytic displacement at carbon
  作者：Martyn R. Ashcroft、Peter Bougeard、Adrian Bury、Christopher J. Cooksey、Michael D. Johnson

  DOI：10.1016/0022-328x(85)87417-9

  日期：1985.7

  homolysis of the substrate, abstracts iodine from the toluenesulphonyl iodide to give the toluenesulphonyl radical, which attacks the organic ligand of the cobaloxime, preferably at the terminal olefinic carbon, thereby displacing cobaloxime(II) and giving the observed organic product.

  4-甲苯磺酰碘在约40°C下与多种烯基和苄基-钴氧肟类发生热反应，可制得高产率的有机-4-甲苯磺酸酯。烯丙基钴肟主要产生，有时在某些情况下仅产生重排的烯砜。脂环族的3-烯基钴肟化合物产生相应的环丙基-羧甲基砜；环烯基乙基钴肟酯产生螺-1,1-环丙基-环烷基砜；环烷-2-烯基甲基钴肟生成双环[1.0。ñ]烷基砜。螺和双环烷基化合物也与其他自由基前体形成。认为反应是通过链机制发生的，其中不定存在或通过底物部分均相形成的钴肟（II）从甲苯磺酰碘中提取碘，生成甲苯磺酰基自由基，该自由基攻击钴肟的有机配体，优选在末端烯烃碳处，从而置换钴肟（II）并得到所观察到的有机产物。
• A pH-controlled recyclable indolinooxazolidine tagged N-heterocyclic carbene Ru catalyst for olefin metathesis
  作者：Yulian Duan、Tao Wang、Qingxiao Xie、Xiaobo Yu、Weijie Guo、Shutao Wu、Danfeng Li、Jianhui Wang、Guiyan Liu

  DOI：10.1039/c7dt00853h

  日期：——

  An indolinooxazolidine tagged N-heterocyclic carbene Ru olefin metathesis catalyst was synthesized and the molecular structure of this new Ru complex was determined by single crystal X-ray diffraction. This complex is a homogeneous catalyst and can be recovered by controlling the polarity of the indolinooxazolidine tag. Under acidic conditions the indolinooxazolidine tag exists as an open protonated

  合成了吲哚并恶唑烷标记的N-杂环卡宾Ru烯烃复分解催化剂，并通过单晶X射线衍射确定了该新Ru配合物的分子结构。该络合物是均相催化剂，可以通过控制吲哚并恶唑烷标签的极性来回收。在酸性条件下，吲哚并恶唑烷标签以开放的质子化形式存在，而在碱性条件下，标签为封闭的形式。可以通过简单地改变pH来控制该催化剂在两相系统中的分布，使得可以容易地回收该催化剂。
• ASHCROFT, M. R.;BOUGEARD, P.;BURY, A.;COOKSEY, CH. J.;JOHNSON, M. D., J. ORGANOMET. CHEM., 1985, 289, N 2-3, 403-415
  作者：ASHCROFT, M. R.、BOUGEARD, P.、BURY, A.、COOKSEY, CH. J.、JOHNSON, M. D.

  DOI：——

  日期：——
• [EN] ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE<br/>[FR] DERIVES D'ACIDE ANTHRANILIQUE UTILISES COMME INHIBITEURS DE LA CGMP-PHOSPHODIESTERASE
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2001030745A1

  公开（公告）日：2001-05-03

  This invention relates to a compound of formula (I): wherein R1 is nitro group, amino group, cyano group, a halo(lower)alkyl group, a halogen atom, etc., R2 is an optionally substituted aryl group, A is a lower alkylene group, and R3 is an optionally substituted heterocyclic group, or a group of formula: -CR4R5R6, in which R?4 and R5¿ are each independently an optionally substituted carbamoyl group or an optionally substituted lower alkyl group, or R?4 and R5¿ together with the carbon atom to which R?4 and R5¿ are attached may form an optionally substituted carbocyclic group, and R6 is hydrogen atom or a lower alkyl group, etc., and a prodrug and a acceptable salt thereof, to processes for preparation thereof, to a pharmaceutical composition containing the same, and to a method for the prevention and/or the treatment of various diseases, such as erectile dysfunction.