2-(3,3-dimethylbutyl)-1,3-dioxane | 1402161-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 2-(3,3-dimethylbutyl)-1,3-dioxane
• CAS: 1402161-05-0
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: PPFOORHRQSZBMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 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：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(2-溴乙基)-1,3-二氧杂环己烷 、 叔丁基氯化镁 在 copper(l) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以86%的产率得到2-(3,3-dimethylbutyl)-1,3-dioxane
  参考文献：
  名称：

  铜催化的官能化卤代烃和甲苯磺酸盐与仲烷基和叔烷基格氏试剂的偶联

  摘要：

  附加值：铜基方法对于烷基亲电试剂与仲烷基和叔烷基格氏试剂的交叉偶联非常有效。该方法以其广泛的底物范围和高官能团耐受性而著称。

  DOI：

  10.1002/anie.201204275

文献信息

• Copper-Catalyzed Cross-Coupling of Functionalized Alkyl Halides and Tosylates with Secondary and Tertiary Alkyl Grignard Reagents
  作者：Peng Ren、Lucas-Alexandre Stern、Xile Hu

  DOI：10.1002/anie.201204275

  日期：2012.9.3

  Added value: A copper‐based method is highly efficient for the cross‐coupling of alkyl electrophiles with secondary and tertiary alkyl Grignard reagents. The method is distinguished by its broad substrate scope and high functional group tolerance.

  附加值：铜基方法对于烷基亲电试剂与仲烷基和叔烷基格氏试剂的交叉偶联非常有效。该方法以其广泛的底物范围和高官能团耐受性而著称。
• Insecticidal Triazines and Pyrimidines
  申请人：Kennedy Robert M.

  公开号：US20120022066A1

  公开（公告）日：2012-01-26

  The present invention describes novel triazines, their related pyrimidines and their use in controlling insects. This invention also includes new synthetic procedures, intermediates for preparing the compounds, pesticide compositions containing the compounds, and methods of controlling insects using the compounds.

  本发明描述了新型三嗪、相关的嘧啶及其在控制昆虫方面的应用。该发明还包括新的合成方法、制备化合物的中间体、含有该化合物的杀虫剂组合物以及使用该化合物控制昆虫的方法。
• GYRASE INHIBITORS
  申请人：Creighton Christopher J.

  公开号：US20130079323A1

  公开（公告）日：2013-03-28

  Novel gyrase inhibitors and related compositions and methods are useful for impeding bacterial growth. Compounds of Formula (I), are disclosed: Formula (I), wherein Y is N or CH; Z is N or CR 5 ; R 5 is H, a substituted or unsubstituted hydrocarbyl residue (1-3C) containing 0-2 heteroatoms selected from O, S and N, or is an inorganic residue; L is O, S, NR 7 , or CR 8 R 9 ; R 7 is H or C 1-3 alkyl; R 8 and R 9 are each independently H or C 1-3 alkyl; R 2 is H, a hydrocarbyl residue (1-40C) containing 0-10 heteroatoms selected from O, S and N optionally substituted with an inorganic residue; R 4 is H, an inorganic residue, or a hydrocarbyl residue (1-30C) containing 0-12 heteroatoms selected from O, S and N and containing 0-10 inorganic residues, wherein R 5 and R 4 together may join to form a fused ring; and R 6 is selected from the group consisting of H, C 1-5 alkyl, C 2-5 alkenyl, C 2-5 alkynyl, halo C 1-5 alkyl, halo C 2-5 alkenyl, halo C 2-5 alkynyl, C 1-5 hydroxyalkyl, C 1-5 alkyl chloride, C 2-5 alkenyl chloride, and C 2-5 alkynyl chloride; or a pharmaceutically-acceptable salt, ester, or prodrug thereof.

  新型螺旋酶抑制剂及相关组合物和方法，适用于阻碍细菌生长。其中公开了式（I）的化合物：式（I），其中Y为N或CH；Z为N或CR5；R5为H，含有0-2个来自O、S和N的杂原子的取代或未取代的碳氢基残基（1-3C），或为无机残基；L为O、S、NR7或CR8R9；R7为H或C1-3烷基；R8和R9各自独立地为H或C1-3烷基；R2为H，含有0-10个来自O、S和N的杂原子的碳氢基残基（1-40C），可选地取代为无机残基；R4为H、无机残基或含有0-12个来自O、S和N的杂原子和含有0-10个无机残基的碳氢基残基（1-30C），其中R5和R4可以共同形成融合环；R6选自H、C1-5烷基、C2-5烯基、C2-5炔基、卤代C1-5烷基、卤代C2-5烯基、卤代C2-5炔基、C1-5羟基烷基、C1-5氯代烷基、C2-5氯代烯基和C2-5氯代炔基的群；或其药学上可接受的盐、酯或前药。
• Microbiocidally active benzoxaboroles
  申请人：Syngenta Participations AG

  公开号：US10040806B2

  公开（公告）日：2018-08-07

  Compounds of formula (I) are as defined in the claims, and their use in compositions and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.

  式（I）化合物如权利要求书中所定义，它们在控制和/或预防植物微生物感染，特别是真菌感染的组合物和方法中的用途，以及这些化合物的制备工艺。
• MICROBIOCIDALLY ACTIVE BENZOXABOROLES
  申请人：Syngenta Participations AG

  公开号：US20160347773A1

  公开（公告）日：2016-12-01

  Compounds of formula (I) are as defined in the claims, and their use in compositions and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.