2,4,6-三异丙基-1,3,5-三氧杂环己烷 | 7580-12-3

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 环烃
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三氧烷
• 中文名称: 2,4,6-三异丙基-1,3,5-三氧杂环己烷
• 英文名称: 2,4,6-triisopropyl-1,3,5-trioxane
• 英文别名: 2,4,6-tris(1-methylethyl)-1,3,5-trioxane；2,4,6-tris-isopropyl-1,3,5-trioxane；triisopropyl-s-trioxane；2,4,6-triisopropyl-[1,3,5]trioxane；2,4,6-Triisopropyl-[1,3,5]trioxan；2,4,6-Triisopropyl-(1,3,5)-trioxane；2,4,6-tri(propan-2-yl)-1,3,5-trioxane
• CAS: 7580-12-3
• 化学式: C₁₂H₂₄O₃
• 分子量: 216.321
• InChiKey: XYIANCZIPATGDH-UHFFFAOYSA-N

物化性质

• 熔点：
  64℃
• 沸点：
  244.9±20.0 °C(Predicted)
• 密度：
  0.916±0.06 g/cm3(Predicted)
• 保留指数：
  1230;1160

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4,6-三异丙基-1,3,5-三氧杂环己烷 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Barbaglia, Gazzetta Chimica Italiana, 1886, vol. 16, p. 435

  摘要：

  DOI：
• 作为产物：
  描述：

  特戊醛 在 [P(2-pyridyl)3W(CO)(NO)2]⁽²⁺⁾(BF₄^(1-))2 作用下， 反应 24.0h， 以86%的产率得到2,4,6-三异丙基-1,3,5-三氧杂环己烷
  参考文献：
  名称：

  Tandem reactions of Friedel–Crafts/aldehyde cyclotrimerization catalyzed by an organotungsten Lewis acid

  摘要：

  The tris(2-pyridyl)phosphine complex [P(2-py)(3)W(CO)(NO)(2)](BF4)(2) acts as a Lewis acid catalyst precursor for the tandem reactions of Friedel-Crafts/aldehyde cyclotrimerization, which lead to the formation of a series of hyper-branched star polymers. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02323-1

文献信息

• [EN] NITRILE COMPOUND AND ITS USE IN PEST CONTROL<br/>[FR] COMPOSE NITRILE ET SON UTILISATION POUR LE CONTROLE DES INSECTES ET ANIMAUX NUISIBLES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2005063694A1

  公开（公告）日：2005-07-14

  The present invention provides a nitrile compound represented by the formula (I): wherein R represents C1-C4 fluoroalkyl, Q represents halogen, C1-C11 alkyl optionally substituted with halogen, C2-C6 alkenyl group optionally substituted with halogen, C2-C6 alkynyl optionally substituted with halogen, C3-C7 cycloalkyl optionally substituted with halogen or (C3-C7 cycloalkyl optionally substituted with halogen)C1-C4 alkyl, which has excellent control effect against pests.

  本发明提供了一种由式(I)表示的腈化合物：其中R代表C1-C4氟烷基，Q代表卤素，C1-C11烷基可选择地取代卤素，C2-C6烯基基团可选择地取代卤素，C2-C6炔基可选择地取代卤素，C3-C7环烷基可选择地取代卤素或(C3-C7环烷基可选择地取代卤素)C1-C4烷基，对害虫具有出色的控制效果。
• The reactions of diphenyllithioarsine and diphenylarsine with aldehydes
  作者：P.J. Busse、C-P. Hrung、K.J. Irgolic、D.H. O'Brien、F.L. Kolar、Omar A. El Seoud

  DOI：10.1016/s0022-328x(00)94398-5

  日期：1980.1

  Diphenyllithioarsine reacts with aldehydes (RCHO, R  CH2CH3, CH(CH3)2, and Ph) to form lithium salts of α-hydroxyalkylarsines. Protonation of the lithium salts gives α-hydroxyalkylarsines. Diphenylarsine reacts with aldehydes below room temperature in the absence of solvents to produce white solids. The reactions are rapid in the presence of acid catalysts. Proton and carbon-13 NMR, infrared and Raman

  与醛（RCHO，RCH Diphenyllithioarsine发生反应2 CH 3，CH（CH 3）2，和pH下），以形成α-hydroxyalkylarsines的锂盐。锂盐的质子化得到α-羟基烷基ar。在不存在溶剂的情况下，二苯基ar在室温以下与醛反应生成白色固体。在酸催化剂的存在下，反应是快速的。质子和碳13 NMR，红外和拉曼光谱表明，产物为二苯基-（α-羟烷基）ar氨酸，Ph 2 AsCHOHR。这些化合物是热不稳定的。在有机溶剂中，在α-羟烷基ar与醛和二苯s之间建立了平衡。
• Tetranuclear BINOL−Titanium Complex in Selective Direct Aldol Additions
  作者：Bernd Schetter、Burkhard Ziemer、Gregor Schnakenburg、Rainer Mahrwald

  DOI：10.1021/jo7014054

  日期：2008.2.1

  the direct aldol addition with high degrees of regioselectivity at the sterically more encumbered α-side of unsymmetrical ketones. The formation of quaternary stereocenters is described. Oxygen-containing ene components can also be used as starting material in these reactions. When used with aliphatic aldehydes, acetals 18 or acetals of aldol adducts 20 were observed. As few as 0.2 mol % loadings with

  极其坚固和水稳定的四核配合物的Ti 4（μ-BINOLato）6（μ 3 -OH）4（1）催化的直接醛醇加成与不对称酮的空间更作保α侧高度区域选择性。描述了四元立体中心的形成。在这些反应中，含氧的烯组分也可以用作起始原料。当与脂族醛一起使用时，观察到缩醛18或醛醇加合物20的缩醛。该催化剂1的低至0.2摩尔％的负载量足以完成反应。讨论了反应的机械方面。
• Acetonyltriphenylphosphonium bromide in organic synthesis: a useful catalyst in the cyclotrimerization of aldehydes
  作者：Yung-Son Hon、Chia-Fu Lee

  DOI：10.1016/s0040-4020(01)00588-9

  日期：2001.7

  Acetonyltriphenylphosphonium bromide (ATPB) is a useful catalyst for the cyclotrimerization of the aliphatic aldehydes under solvent-free condition. The aldehydes tethered with a variety of functionality such as olefin, ether, ester, bromide, azide and diester could also be cyclotrimerized under the catalysis of ATPB.

  乙酰基三苯基溴化phosph（ATPB）是在无溶剂条件下脂族醛环三聚的有用催化剂。与多种官能团（例如烯烃，醚，酯，溴化物，叠氮化物和二酯）束缚的醛也可以在ATPB的催化下进行环三聚。
• Reactions of Trimethylsilyl Isothiocyanate with Aldehydes and Acetals. Synthesis of Symmetrically and Unsymmetrically Isothiocyanato-Substituted Ethers
  作者：Kozaburo Nishiyama、Makoto Oba

  DOI：10.1246/bcsj.60.2289

  日期：1987.6

  The reactions of trimethylsilyl isothiocyanate (TMSTC) with aldehydes catalyzed by Lewis acid gave α,α′-diisothiocyanato ethers in good to excellent yields. Similarly, unsymmetrical α-isothiocyanato ethers were obtained from the reactions of TMSTC with acetals in appropriate yields.

  在路易斯酸催化下，异硫氰酸三甲基甲硅烷基酯 (TMSTC) 与醛的反应得到了 α,α'-二异硫氰酸酯，收率很好。类似地，不对称的 α-异硫氰酸酯醚可以从 TMSTC 与缩醛的反应中以适当的产率获得。

表征谱图