1,3-DI-Tert-butyl-5-[(10-chlorodecyl)oxy]benzene | 918795-65-0

• 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: 1,3-DI-Tert-butyl-5-[(10-chlorodecyl)oxy]benzene
• 英文别名: 1,3-ditert-butyl-5-(10-chlorodecoxy)benzene
• CAS: 918795-65-0
• 化学式: C₂₄H₄₁ClO
• 分子量: 381.042
• InChiKey: DDSKQKRICUUIMF-UHFFFAOYSA-N

物化性质

• 沸点：
  442.1±38.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  26
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,3-DI-Tert-butyl-5-[(10-chlorodecyl)oxy]benzene 、 4,4'-联吡啶 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 以55%的产率得到
  参考文献：
  名称：

  Irreversible and reversible formation of a [2]rotaxane containing platinum(ii) complex with an N-alkyl bipyridinium ligand as the axis component

  摘要：

  一种具有聚亚甲基链和末端庞大芳基的N-烷基联吡啶盐,[4,4'-联吡啶-N-(CH\({}_{2}\))\({}_{10}\)OC\({}_{6}\)H\({}_{3}\)-3,5-二叔丁基]Cl ([1a]Cl),与K[PtCl\({}_{3}\)(dmso)]反应生成具有N-烷基联吡啶盐配体的Pt复合物,即[Cl\({}_{2}\)(dmso)Pt{4,4'-联吡啶-N-(CH\({}_{2}\))\({}_{10}\)OC\({}_{6}\)H\({}_{3}\)-3,5-二叔丁基}][PtCl\({}_{3}\)(dmso)]作为反式和顺式异构体的6:1混合物([trans-2a][PtCl\({}_{3}\)(dmso)]和[cis-2a][PtCl\({}_{3}\)(dmso)]).将α-环糊精(α-CD)加入到dmso-d\({}_{6}\)/D\({}_{2}\)O(3:1)中的[1a]Cl溶液中,生成[2]伪轮烷[{4,4'-联吡啶-N-(CH\({}_{2}\))\({}_{10}\)OC\({}_{6}\)H\({}_{3}\)-3,5-二叔丁基}·(α-CD)]Cl ([3a]Cl),其在溶液中与[1a]Cl和α-CD处于平衡状态.K[PtCl\({}_{3}\)(dmso)]与[3a]Cl反应得到[2]轮烷[trans-Cl\({}_{2}\)(dmso)Pt{4,4'-联吡啶-N-(CH\({}_{2}\))\({}_{10}\)OC\({}_{6}\)H\({}_{3}\)-3,5-二叔丁基}·(α-CD)][PtCl\({}_{3}\)(dmso)]([trans-4a][PtCl\({}_{3}\)(dmso)]),其中α-CD和[trans-2a][PtCl\({}_{3}\)(dmso)]分别为环状和轴向组分.将[trans-2a][PtCl\({}_{3}\)(dmso)]、[cis-2a][PtCl\({}_{3}\)(dmso)]和α-CD的混合物溶解在dmso-d\({}_{6}\)/D\({}_{2}\)O (3:1)中,形成含有[trans-4a-d\({}_{6}\)][PtCl\({}_{3}\)(dmso)]和[cis-4a-d\({}_{6}\)][PtCl\({}_{3}\)(dmso)]的轮烷混合物.该反应涉及从[trans-2a][PtCl\({}_{3}\)(dmso)]或[cis-2a][PtCl\({}_{3}\)(dmso)]中的Pt部分解离联吡啶盐,生成[1a][PtCl\({}_{3}\)(dmso)]并与α-CD形成伪轮烷,随后联吡啶盐重新配位到Pt.Pt-N配位键的可逆形成在N-丁基化合物[trans-Cl\({}_{2}\)(dmso)Pt{4,4'-联吡啶-N-nBu}][PtCl\({}_{3}\)(dmso)]([trans-2b][PtCl\({}_{3}\)(dmso)])的dmso溶液中进行了研究.

  DOI：

  10.1039/b610087b
• 作为产物：
  描述：

  1,10-二氯癸烷 、 3,5-二叔丁基苯酚 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 以27%的产率得到1,3-DI-Tert-butyl-5-[(10-chlorodecyl)oxy]benzene
  参考文献：
  名称：

  Irreversible and reversible formation of a [2]rotaxane containing platinum(ii) complex with an N-alkyl bipyridinium ligand as the axis component

  摘要：

  一种具有聚亚甲基链和末端庞大芳基的N-烷基联吡啶盐,[4,4'-联吡啶-N-(CH\({}_{2}\))\({}_{10}\)OC\({}_{6}\)H\({}_{3}\)-3,5-二叔丁基]Cl ([1a]Cl),与K[PtCl\({}_{3}\)(dmso)]反应生成具有N-烷基联吡啶盐配体的Pt复合物,即[Cl\({}_{2}\)(dmso)Pt{4,4'-联吡啶-N-(CH\({}_{2}\))\({}_{10}\)OC\({}_{6}\)H\({}_{3}\)-3,5-二叔丁基}][PtCl\({}_{3}\)(dmso)]作为反式和顺式异构体的6:1混合物([trans-2a][PtCl\({}_{3}\)(dmso)]和[cis-2a][PtCl\({}_{3}\)(dmso)]).将α-环糊精(α-CD)加入到dmso-d\({}_{6}\)/D\({}_{2}\)O(3:1)中的[1a]Cl溶液中,生成[2]伪轮烷[{4,4'-联吡啶-N-(CH\({}_{2}\))\({}_{10}\)OC\({}_{6}\)H\({}_{3}\)-3,5-二叔丁基}·(α-CD)]Cl ([3a]Cl),其在溶液中与[1a]Cl和α-CD处于平衡状态.K[PtCl\({}_{3}\)(dmso)]与[3a]Cl反应得到[2]轮烷[trans-Cl\({}_{2}\)(dmso)Pt{4,4'-联吡啶-N-(CH\({}_{2}\))\({}_{10}\)OC\({}_{6}\)H\({}_{3}\)-3,5-二叔丁基}·(α-CD)][PtCl\({}_{3}\)(dmso)]([trans-4a][PtCl\({}_{3}\)(dmso)]),其中α-CD和[trans-2a][PtCl\({}_{3}\)(dmso)]分别为环状和轴向组分.将[trans-2a][PtCl\({}_{3}\)(dmso)]、[cis-2a][PtCl\({}_{3}\)(dmso)]和α-CD的混合物溶解在dmso-d\({}_{6}\)/D\({}_{2}\)O (3:1)中,形成含有[trans-4a-d\({}_{6}\)][PtCl\({}_{3}\)(dmso)]和[cis-4a-d\({}_{6}\)][PtCl\({}_{3}\)(dmso)]的轮烷混合物.该反应涉及从[trans-2a][PtCl\({}_{3}\)(dmso)]或[cis-2a][PtCl\({}_{3}\)(dmso)]中的Pt部分解离联吡啶盐,生成[1a][PtCl\({}_{3}\)(dmso)]并与α-CD形成伪轮烷,随后联吡啶盐重新配位到Pt.Pt-N配位键的可逆形成在N-丁基化合物[trans-Cl\({}_{2}\)(dmso)Pt{4,4'-联吡啶-N-nBu}][PtCl\({}_{3}\)(dmso)]([trans-2b][PtCl\({}_{3}\)(dmso)])的dmso溶液中进行了研究.

  DOI：

  10.1039/b610087b

文献信息

• Irreversible and reversible formation of a [2]rotaxane containing platinum(ii) complex with an N-alkyl bipyridinium ligand as the axis component
  作者：Yuji Suzaki、Toshiaki Taira、Kohtaro Osakada

  DOI：10.1039/b610087b

  日期：——

  An N-Alkyl bipyridinium having a polymethylene chain and a bulky aryl group at the end, [4,4′-bpy-N-(CH2)10OC6H3-3,5-tBu2]Cl ([1a]Cl), reacts with K[PtCl3(dmso)] to produce the Pt complex with the N-alkyl bipyridinium ligand [Cl2(dmso)Pt4,4′-bpy-N-(CH2)10OC6H3-3,5-tBu2}][PtCl3(dmso)] as a 6 : 1 mixture of trans and cis isomers ([trans-2a][PtCl3(dmso)] and [cis-2a][PtCl3(dmso)]). Addition of α-cyclodextrin (α-CD) to a solution of [1a]Cl in dmso-d6/D2O (3 : 1) forms [2]pseudorotaxane [4,4′-bpy-N-(CH2)10OC6H3-3,5-tBu2}·(α-CD)]Cl ([3a]Cl) which is equilibrated with [1a]Cl and α-CD in solution. The reaction of K[PtCl3(dmso)] with [3a]Cl affords the [2]rotaxane [trans-Cl2(dmso)Pt4,4′-bpy-N-(CH2)10OC6H3-3,5-tBu2}·(α-CD)][PtCl3(dmso)] ([trans-4a][PtCl3(dmso)]) which contains α-CD and [trans-2a][PtCl3(dmso)] as the cyclic and axis components, respectively. Dissolution of a mixture of [trans-2a][PtCl3(dmso)], [cis-2a][PtCl3(dmso)] and α-CD in dmso-d6/D2O (3 : 1) forms a mixture of the rotaxanes containing [trans-4a-d6][PtCl3(dmso)] and [cis-4a-d6][PtCl3(dmso)]. The reaction involves partial dissociation of the bipyridinium from Pt of [trans-2a][PtCl3(dmso)] or [cis-2a][PtCl3(dmso)] to yield [1a][PtCl3(dmso)] and formation of pseudorotaxane with α-CD, followed by recoordination of the bipyridinium to the Pt. The reversible formation of the Pt–N coordination bond is studied in a dmso solution of the N-butyl compounds [trans-Cl2(dmso)Pt4,4′-bpy-N-nBu}][PtCl3(dmso)] ([trans-2b][PtCl3(dmso)]).

  一种具有聚亚甲基链和末端庞大芳基的N-烷基联吡啶盐,[4,4'-联吡啶-N-(CH\(}_2}\))\(}_10}\)OC\(}_6}\)H\(}_3}\)-3,5-二叔丁基]Cl ([1a]Cl),与K[PtCl\(}_3}\)(dmso)]反应生成具有N-烷基联吡啶盐配体的Pt复合物,即[Cl\(}_2}\)(dmso)Pt4,4'-联吡啶-N-(CH\(}_2}\))\(}_10}\)OC\(}_6}\)H\(}_3}\)-3,5-二叔丁基}][PtCl\(}_3}\)(dmso)]作为反式和顺式异构体的6:1混合物([trans-2a][PtCl\(}_3}\)(dmso)]和[cis-2a][PtCl\(}_3}\)(dmso)]).将α-环糊精(α-CD)加入到dmso-d\(}_6}\)/D\(}_2}\)O(3:1)中的[1a]Cl溶液中,生成[2]伪轮烷[4,4'-联吡啶-N-(CH\(}_2}\))\(}_10}\)OC\(}_6}\)H\(}_3}\)-3,5-二叔丁基}·(α-CD)]Cl ([3a]Cl),其在溶液中与[1a]Cl和α-CD处于平衡状态.K[PtCl\(}_3}\)(dmso)]与[3a]Cl反应得到[2]轮烷[trans-Cl\(}_2}\)(dmso)Pt4,4'-联吡啶-N-(CH\(}_2}\))\(}_10}\)OC\(}_6}\)H\(}_3}\)-3,5-二叔丁基}·(α-CD)][PtCl\(}_3}\)(dmso)]([trans-4a][PtCl\(}_3}\)(dmso)]),其中α-CD和[trans-2a][PtCl\(}_3}\)(dmso)]分别为环状和轴向组分.将[trans-2a][PtCl\(}_3}\)(dmso)]、[cis-2a][PtCl\(}_3}\)(dmso)]和α-CD的混合物溶解在dmso-d\(}_6}\)/D\(}_2}\)O (3:1)中,形成含有[trans-4a-d\(}_6}\)][PtCl\(}_3}\)(dmso)]和[cis-4a-d\(}_6}\)][PtCl\(}_3}\)(dmso)]的轮烷混合物.该反应涉及从[trans-2a][PtCl\(}_3}\)(dmso)]或[cis-2a][PtCl\(}_3}\)(dmso)]中的Pt部分解离联吡啶盐,生成[1a][PtCl\(}_3}\)(dmso)]并与α-CD形成伪轮烷,随后联吡啶盐重新配位到Pt.Pt-N配位键的可逆形成在N-丁基化合物[trans-Cl\(}_2}\)(dmso)Pt4,4'-联吡啶-N-nBu}][PtCl\(}_3}\)(dmso)]([trans-2b][PtCl\(}_3}\)(dmso)])的dmso溶液中进行了研究.