2-cyclopentylidenehexanal | 126497-31-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyclopentylidenehexanal
• CAS: 126497-31-2
• 化学式: C₁₁H₁₈O
• 分子量: 166.263
• InChiKey: ANVWIZWIHLDQNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-iodo-5-decyne 、 N,N-二甲基甲酰胺 在 叔丁基锂 作用下， 生成 2-cyclopentylidenehexanal
  参考文献：
  名称：

  Cyclization of acetylenic alkyllithiums

  摘要：

  The scope and limitations of cyclization reactions involving acetylenic alkyllithiums, which were prepared at -78-degrees-C by lithium-iodine exchange between the corresponding iodide and tert-butyllithium in a solution of n-pentane-diethyl ether (3:2 by volume), have been investigated. 4-Pentynyllithiums, 5-hexynyllithiums, and 6-heptynyllithiums bearing a phenyl or trimethylsilyl substituent on the triple bond undergo regiospecific exo-dig cyclization to give 4-, 5-, and 6-membered rings, respectively, bearing an exocyclic lithiomethylene moiety. Cyclization of the analogous alkyl-substituted acetylenic alkyllithiums seems to be confined to the 5-exo mode. The vinyllithium products of the cyclizations may be trapped by reaction with electrophiles to afford functionalized cycloalkylidene derivatives in good yield. The cyclization reactions were found to be highly stereoselective: intramolecular addition of the C-Li unit to the triple bond to produce 4- or 5-membered rings proceeds in a syn fashion to generate isomerically pure exocyclic vinyllithiums that may be functionalized to give stereoisomerically pure products. At the higher temperatures needed to effect cyclization of 6-heptynyllithiums, the initially formed (Z)-vinyllithium intermediate is isomerized to the more stable E-isomer which, when trapped with an electrophile, affords stereoisomerically pure product formally derived from anti addition to the triple bond.

  DOI：

  10.1021/ja00061a006

文献信息

• COMPOSITION FOR REMOVING SULFUR-CONTAINING COMPOUND
  申请人：Kuraray Co., Ltd.

  公开号：EP3476478A1

  公开（公告）日：2019-05-01

  Provided is a composition for removing a sulfur-containing compound present in liquid or vapor, the sulfur-containing compound being hydrogen sulfide, an -SH group-containing compound or a mixture thereof, the composition containing an α,β-unsaturated aldehyde represented by the following general formula (1) as an active ingredient: wherein R1 and R2 each independently represent an alkyl group having 1 to 10 carbon atoms, an alkenyl group having 2 to 10 carbon atoms or an aryl group having 6 to 12 carbon atoms, or are connected to each other to represent an alkylene group having 2 to 6 carbon atoms; and R3 represents a hydrogen atom or an alkyl group having 1 to 5 carbon atoms, or is connected to R1 to represent an alkylene group having 2 to 6 carbon atoms.

  本发明提供了一种用于去除存在于液体或蒸汽中的含硫化合物的组合物，该含硫化合物是硫化氢、含-SH 基团的化合物或它们的混合物，该组合物含有由下式（1）表示的 α、β-不饱和醛作为活性成分： 其中 R1 和 R2 各自独立地代表具有 1 至 10 个碳原子的烷基、具有 2 至 10 个碳原子的烯基或具有 6 至 12 个碳原子的芳基，或相互连接代表具有 2 至 6 个碳原子的亚烷基；R3 代表氢原子或具有 1 至 5 个碳原子的烷基，或与 R1 连接代表具有 2 至 6 个碳原子的亚烷基。
• COMPOSITION FOR REMOVING IRON SULFIDE
  申请人：Kuraray Co., Ltd.

  公开号：EP3486353A1

  公开（公告）日：2019-05-22

  Provided is a composition for removing iron sulfide, containing, as an active ingredient, an α,β-unsaturated aldehyde represented by the following general formula (1): wherein R1 to R3 each independently represent a hydrogen atom, an alkyl group having 1 to 10 carbon atoms, an alkenyl group having 2 to 10 carbon atoms, or an aryl group having 6 to 12 carbon atoms, provided that R1 may be connected to R2 or R3, to constitute an alkylene group having 2 to 6 carbon atoms; and that R1 and R2 are not a hydrogen atom at the same time.

  本发明提供了一种去除硫化铁的组合物，该组合物的活性成分是由下式（1）表示的 α，β-不饱和醛： 其中 R1 至 R3 各自独立地代表氢原子、具有 1 至 10 个碳原子的烷基、具有 2 至 10 个碳原子的烯基或具有 6 至 12 个碳原子的芳基，但 R1 可与 R2 或 R3 连接，以构成具有 2 至 6 个碳原子的亚烷基；并且 R1 和 R2 不能同时为氢原子。
• Composition for removing sulfur-containing compound
  申请人：KURARAY CO., LTD.

  公开号：US11291947B2

  公开（公告）日：2022-04-05

  Provided is a composition for removing a sulfur-containing compound present in liquid or vapor, the sulfur-containing compound being hydrogen sulfide, an —SH group-containing compound or a mixture thereof, the composition containing an α,β-unsaturated aldehyde represented by the following general formula (1) as an active ingredient; wherein R1 and R2 each independently represent an alkyl group having 1 to 10 carbon atoms, an alkenyl group having 2 to 10 carbon atoms or an aryl group having 6 to 12 carbon atoms, or are connected to each other to represent an alkylene group having 2 to 6 carbon atoms; and R3 represents a hydrogen atom or an alkyl group having 1 to 5 carbon atoms, or is connected to R1 to represent an alkylene group having 2 to 6 carbon atoms.

  本发明提供了一种用于去除存在于液体或蒸汽中的含硫化合物的组合物，该含硫化合物是硫化氢、含-SH 基团的化合物或它们的混合物，该组合物含有由下式（1）表示的 α、β-不饱和醛作为活性成分； 其中 R1 和 R2 各自独立地代表具有 1 至 10 个碳原子的烷基、具有 2 至 10 个碳原子的烯基或具有 6 至 12 个碳原子的芳基，或相互连接代表具有 2 至 6 个碳原子的亚烷基；R3 代表氢原子或具有 1 至 5 个碳原子的烷基，或与 R1 连接代表具有 2 至 6 个碳原子的亚烷基。
• Preparation and facile cyclization of 5-alkyn-1-yllithiums
  作者：William F. Bailey、Timo V. Ovaska、Thomas K. Leipert

  DOI：10.1016/s0040-4039(00)99279-7

  日期：1989.1
• BAILEY, WILLIAM F.;OVASKA, TIMO V.;LEIPERT, THOMAS K., TETRAHEDRON LETT., 30,(1989) N0, C. 3901-3904
  作者：BAILEY, WILLIAM F.、OVASKA, TIMO V.、LEIPERT, THOMAS K.

  DOI：——

  日期：——