4-cyclohexyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane | 108614-38-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-cyclohexyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
• 英文别名: 4-Cyclohexyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane
• CAS: 108614-38-6
• 化学式: C₁₉H₂₂O₃
• 分子量: 298.382
• InChiKey: CSIFPTAATWHCSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [4-(4-Cyclohexyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-phenylethynyl]-triisopropyl-silane 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到4-cyclohexyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
  参考文献：
  名称：

  在末端炔烃官能团存在下烯烃部分的选择性催化加氢

  摘要：

  将末端炔烃保护为（三甲基或三异丙基甲硅烷基）炔烃可以在不降低炔烃功能的情况下对单或二取代的烯烃部分进行选择性催化加氢。

  DOI：

  10.1016/0040-4039(90)80166-j

文献信息

• 1,4-bis-substituted-2,6,7-trioxabicyclo(2.2.2)-octanes having ethynyl
  申请人：The Regents of the University of California

  公开号：US04772624A1

  公开（公告）日：1988-09-20

  A compound of the formula ##STR1## wherein R is C.sub.3 -C.sub.10 normal- or branched- alkyl or cycloalkyl, C.sub.3 -C.sub.10 normal- or branched- alkyl or cycloalkyl having one or more halogen, cyano, C.sub.1 -C.sub.2 partially or completely halogenated alkyl, or C.sub.1 -C.sub.3 alkoxy or partially or completely halogenated alkoxy substituents, C.sub.3 -C.sub.10 cycloalkyl having C.sub.1 -C.sub.2 alkyl substituents, phenyl, or phenyl having one or more halogen, cyano, nitro, ethynl, C.sub.1 -C.sub.2 alkyl or partially or completely halogenated alkyl, or C.sub.1 -C.sub.3 alkoxy or partially or completely halogenated alkoxy substituents; wherein at least one of R.sub.2 -R.sub.6 is ethynyl; and wherein the remainder of R.sub.2 -R.sub.6 are independently either hydrogen, halogen, C.sub.1 -C.sub.2 alkyl, partially or completely halogenated C.sub.1 -C.sub.2 alkyl, C.sub.1 -C.sub.3 alkoxy, partially or completely halogenated C.sub.1 -C.sub.3 alkoxy, ethynyl, nitro, cyano, or azido. Such a compound is useful in killing pests, particularly insects.

  一种化合物的化学式为##STR1##其中R是C.sub.3-C.sub.10正构或支链烷基或环烷基，C.sub.3-C.sub.10正构或支链烷基或环烷基具有一个或多个卤素，氰基，C.sub.1-C.sub.2部分或完全卤代烷基，或C.sub.1-C.sub.3烷氧基或部分或完全卤代烷氧基取代基，C.sub.3-C.sub.10环烷基具有C.sub.1-C.sub.2烷基取代基，苯基或苯基具有一个或多个卤素，氰基，硝基，乙炔基，C.sub.1-C.sub.2烷基或部分或完全卤代烷基，或C.sub.1-C.sub.3烷氧基或部分或完全卤代烷氧基取代基；其中R.sub.2-R.sub.6中至少有一个是乙炔基; R.sub.2-R.sub.6的其余部分独立地是氢，卤素，C.sub.1-C.sub.2烷基，部分或完全卤代C.sub.1-C.sub.2烷基，C.sub.1-C.sub.3烷氧基，部分或完全卤代C.sub.1-C.sub.3烷氧基，乙炔基，硝基，氰基或叠氮基。这种化合物在杀虫剂特别是杀虫剂方面有用。
• Pesticidal compounds
  申请人：ROUSSEL-UCLAF

  公开号：EP0216624A2

  公开（公告）日：1987-04-01

  Bicyclo-[2,2,1]-heptanes, bicyclo-[2,2,2]-octanes and bi- cyclo-[2,2,3]-nonanes having 2 or 3 ring hetero atoms selected from 0, S and N, substituted at the 1-position by a 4-alkynylphenyl group and at the 4-position and optionally at the 3 and/or 5-position are valuable pesticides, particularly insecticides and acaracides. The compounds may be prepared by reacting an alkyne with the corresponding 4- iodophenyl substituted compound or by debromination of the corresponding 4-dibrom- omethylphenyl substituted compound.

  双环-[2,2,1]-庚烷、双环-[2,2,2]-辛烷和双环-[2,2,3]-壬烷具有 2 个或 3 个选自 0、S 和 N 的环状杂原子，在 1 位被 4-炔基苯基取代，在 4 位和任选在 3 位和/或 5 位被 4-炔基苯基取代，是有价值的杀虫剂，特别是杀虫剂和杀螨剂。这些化合物可通过炔烃与相应的 4-碘苯基取代化合物反应或通过相应的 4-二溴-甲基苯基取代化合物的脱溴反应制备。
• PALMER, CHRISTOPHER J.;CASIDA, JOHN E.
  作者：PALMER, CHRISTOPHER J.、CASIDA, JOHN E.

  DOI：——

  日期：——
• PALMER, CHRISTOPHER J.;CASIDA, JOHN E., TETRAHEDRON LETT., 31,(1990) N0, C. 2857-2860
  作者：PALMER, CHRISTOPHER J.、CASIDA, JOHN E.

  DOI：——

  日期：——
• PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY
  申请人：PFIZER INC.

  公开号：EP0674624A1

  公开（公告）日：1995-10-04