2-环己基-1,1,3,3-四甲基胍 | 5012-76-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-环己基-1,1,3,3-四甲基胍
• 英文名称: 2-cyclohexyl-1,1,3,3-tetramethylguanidine
• CAS: 5012-76-0
• 化学式: C₁₁H₂₃N₃
• 分子量: 197.324
• InChiKey: LMDPNRIZSVFXLG-UHFFFAOYSA-N

物化性质

• 保留指数：
  1398

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  18.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2925290090

反应信息

• 作为产物：
  描述：

  环己胺 、 1,1,3,3-四甲基脲 在 草酰氯 作用下， 生成 2-环己基-1,1,3,3-四甲基胍
  参考文献：
  名称：

  在均相或非均相条件下由二氧化碳和丙-2-炔-1-胺形成恶唑烷-2-酮环的超强碱催化

  摘要：

  N-烷基取代的丙-2-炔-1-胺和N-三，四和五烷基取代的胍或其他强有机碱在二氧化碳的作用下组装，以提供氨基甲酸酯，由氨基甲酸酯生成亚甲基恶唑烷酮2由闭环形成。如果胍中存在适当长度的烷基或环烷基链，则该反应在非溶剂条件下容易在非均相条件下发生。

  DOI：

  10.1039/a800453f
• 作为试剂：
  描述：

  仲丁胺 、 二氧化碳 、 氯化苄 在 2-环己基-1,1,3,3-四甲基胍 作用下， 生成 benzyl sec-butylcarbamate
  参考文献：
  名称：

  Carbon Dioxide as a Phosgene Replacement: Synthesis and Mechanistic Studies of Urethanes from Amines, CO2, and Alkyl Chlorides

  摘要：

  Several carbamate esters were synthesized from amines, carbon dioxide, and alkyl chlorides. The effect of added base on the yield and selectivity of carbamate ester formation was found to be highly important with the use of sterically hindered guanidine bases giving the best results. Relative rate studies were carried out giving the following order of reactivity between carbamate anions in acetonitrile with benzyl chloride giving carbamate esters: Et(2)NCO(2)(-) = Bu(2)NCO(2)(-) > t-BuNHCO(2)(-) CyNHCO(2)(-) = s-BuNHCO(2)(-) > PhNHCO(2)(-) > CyCH(2)NHCO(2) = n-octylNHCO(2)(-) = n-BuNHCO(2)(-). Rate studies were carried out with the diethyl, s-butyl, phenyl, and n-butyl carbamates and activation parameters were determined to be Et(2)NCO(2)(-), Delta H-double dagger = 11.8 kcal/mol, Delta S-double dagger = -33 eu; s-BuNHCO(2)(-), Delta H-double dagger = 12.8 kcal/mol, Delta S-double dagger = -33 eu; PhNHCO(2)(-), Delta H-double dagger = 14.3 kcal/mol, Delta S-double dagger = -28 eu; n-BuNHCO(2)(-), Delta H-double dagger: = 23.4 kcal/mol, Delta S-double dagger = -3 eu. The unusual results obtained from the use of n-BuNHCO(2)(-) prompted further studies which showed that the rate of reaction was inversely dependent on carbon dioxide pressure (20 psig CO2, k = 4.84 x 10(-4) M(-1) s(-1); 120 psig CO2, k = 1.83 x 10(-4) M(-1) s(-1)). Nitrogen NMR spectroscopy indicated, via a labeling study with N-15 amines and C-13 enriched carbon dioxide, the formation of a doubly inserted product from the addition of two carbon dioxides to ethylamine in acetonitrile.

  DOI：

  10.1021/jo00114a035

文献信息

• [EN] NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES<br/>[FR] NOUVEAUX COMPOSÉS D'AMINOALKYLAZOLE À SUBSTITUTION HÉTÉROARYLE UTILISÉS EN TANT QUE PESTICIDES
  申请人：BAYER ANIMAL HEALTH GMBH

  公开号：WO2020212235A1

  公开（公告）日：2020-10-22

  The present invention relates to novel heteroaryl-substituted aminoalkyl azole compounds of the general formula (I), in which the structural elements Y, Q1, Q2, R1, R2, R3 and R4 have the meaning given in the description, to formulations and compositions comprising such compounds and for their use in the control of animal pests including arthropods and insects in plant protection and to their use for control of ectoparasites on animals. Formula (I).

  本发明涉及一种新颖的杂环取代氨基烷基唑类化合物，其通式为(I)，其中结构元素Y、Q1、Q2、R1、R2、R3和R4的含义如描述中所述，以及包含这种化合物的配方和组合物，用于控制包括节肢动物和昆虫在内的动物害虫，用于植物保护，并用于控制动物体表寄生虫。通式(I)。
• HETEROCYCLIC COMPOUNDS AS PESTICIDES
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20170073318A1

  公开（公告）日：2017-03-16

  The present application relates to novel heterocyclic compounds, to the use thereof for controlling animal pests including arthropods, insects and nematodes, and to processes and intermediates for preparation of the novel compounds.

  本申请涉及新颖的杂环化合物，其用于控制包括节肢动物、昆虫和线虫在内的动物害虫，并涉及用于制备这些新化合物的过程和中间体。
• Heterocyclic amide derivatives
  申请人：——

  公开号：US20040248958A1

  公开（公告）日：2004-12-09

  The present invention relates to novel heterocyclic amide derivatives of the formula 1 in which R 1 , R 2 , R 3 and R 4 are as defined in the disclosure, to a process for preparing them, and to their use as pesticides.

  本发明涉及公式1的新型杂环酰胺衍生物，其中R1、R2、R3和R4如披露中所定义，以及其制备方法和作为杀虫剂的用途。
• halogen-substituted compounds
  申请人：Maue Michael

  公开号：US20110301181A1

  公开（公告）日：2011-12-08

  The invention relates to compounds of the general formula (I), in which the radicals A 1 , A 2 , A 3 , A 4 , Lm, Q, R 1 , T and U have the meaning given in the description and to the use of the compounds for controlling animal pests. In addition, the invention relates to processes and intermediates for the preparation of the compounds according to formula (I).

  该发明涉及一般式(I)的化合物，其中基团A1、A2、A3、A4、Lm、Q、R1、T和U的含义如描述中所示，以及该化合物用于控制动物害虫。此外，该发明涉及根据一般式(I)制备化合物的工艺和中间体。
• BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS
  申请人：Jeschke Peter

  公开号：US20090181947A1

  公开（公告）日：2009-07-16

  The present invention relates to novel bicyclic enamino(thio)carbonyl compounds, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本发明涉及新颖的双环烯胺基(硫)酰基化合物，以及其制备方法和用于控制动物害虫，特别是节肢动物，尤其是昆虫的用途。