4,4-二甲基己醛 | 5932-91-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,4-二甲基己醛
• 中文别名: 2H-吡喃并[2,3-c]吡啶-2-酮,3-氨基-5-(羟甲基)-8-甲基-
• 英文名称: 4,4-dimethyl-hexanal
• 英文别名: 4,4-Dimethylhexanal
• CAS: 5932-91-2
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: LIARQDWTSIPOCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  magnesium,2-methylbutane,chloride 在 calcium carbonate 、 过氧化苯甲酰 作用下， 以 苯 为溶剂， 反应 5.0h， 生成 4,4-二甲基己醛
  参考文献：
  名称：

  饱和脂族醇的四乙酸铅氧化—IV：六元环醚的形成

  摘要：

  具有不允许1，5-环化的结构的饱和脂族醇的四乙酸铅氧化，得到的四氢吡喃衍生物的产率不超过16％。由4，4-二甲基-1-戊醇形成的少量重排的醚2-乙基-2-甲基四氢呋喃表明环化反应是通过具有碳酸根离子特征的中间体进行的。

  DOI：

  10.1016/s0040-4020(01)98366-8

文献信息

• Heterocyclic pesticidal compounds
  申请人：The Wellcome Foundation

  公开号：US05502073A1

  公开（公告）日：1996-03-26

  Compounds of the formula (I) ##STR1## which contain between 10 and 27 carbon atoms, and wherein m and n are independently selected from 0, 1 and 2; R.sup.2a is hydrogen, methyl, or ethyl; R.sup.2b is acetylene or contains between 3 and 18 carbon atoms and is a group R.sup.7, wherein R.sup.7 is a C.sub.1-13 non-aromatic hydrocarbyl group, optionally substituted by a cyano or C.sub.1-4 carbalkoxy group and/or by one or two hydroxy groups and/or by one to five halo atoms which are the same or different and/or by one to three groups R.sup.8 which are the same or different and each contain one to four hetero atoms, which are the same or different and are chosen from oxygen, sulphur, nitrogen and silicon, 1 to 10 carbon atoms and optionally 1 to 6 fluoro or chloro atoms or R.sup.2b is a 6-membered aromatic ring substituted by cyano and/or by one to three groups R.sup.8 and/or by a group --C.tbd.CH, --C.tbd.C-R.sup.7 or C.tbd.C-halo and/or by one to five halo atoms and/or by one to three C.sub.1-4 haloalkyl groups wherein R.sup.7 and R.sup.8 are as hereinbefore defined; R.sup.4 and R.sup.6 are the same or different and are chosen from hydrogen, methyl, trifluoromethyl or cyano; and R.sup.5 is hydrogen or methyl provided that R.sup.2b is not propyl or butyl are described which have pesticidal activity, particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (I), their use in the control of pests and method for their preparation are also disclosed.

  化学式（I）##STR1##中含有10至27个碳原子，其中m和n分别选自0、1和2；R.sup.2a为氢、甲基或乙基；R.sup.2b为乙炔或含有3至18个碳原子且为基团R.sup.7，其中R.sup.7为C.sub.1-13非芳香烃基团，可选择地被氰基或C.sub.1-4羰基烷氧基团取代和/或被一个或两个羟基取代和/或被一个到五个相同或不同的卤原子取代和/或被一个到三个相同或不同的基团R.sup.8取代，每个基团R.sup.8含有一个到四个相同或不同的杂原子，这些杂原子选自氧、硫、氮和硅，1至10个碳原子和可选择地1至6个氟或氯原子，或R.sup.2b为被氰基取代的6元芳环和/或被一个到三个基团R.sup.8取代和/或为基团--C.tbd.CH、--C.tbd.C-R.sup.7或C.tbd.C-卤基取代和/或被一个到五个卤原子取代和/或被一个到三个C.sub.1-4卤代烷基团取代，其中R.sup.7和R.sup.8如前所定义；R.sup.4和R.sup.6相同或不同，选自氢、甲基、三氟甲基或氰基；R.sup.5为氢或甲基，前提是R.sup.2b不是丙基或丁基，描述了具有杀虫活性的化合物，特别是对节肢动物害虫。还公开了含有化合物（I）的杀虫配方，其在害虫控制中的使用以及其制备方法。
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：GIVAUDAN SA

  公开号：WO2021102896A1

  公开（公告）日：2021-06-03

  Disclosed are TRPM8 modulators as defined by formula (I) for achieving a cooling effect on skin and mucousa.

  公开了根据式(I)定义的TRPM8调节剂，用于在皮肤和粘膜上实现降温效果。
• CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1209147A1

  公开（公告）日：2002-05-29

  Prevention or therapy of inflammatory diseases caused by invasion of leukocytes such as monocytes, lymphocytes and eosinophils, by providing a substance which inhibits cell adhesion via an adhesion molecule, especially adhesion molecule VLA-4, is disclosed. A group of carboxylic acid derivatives represented by, for example, and adhesion molecule inhibitors comprising the same as an effective ingredient were provided.

  通过提供一种通过粘附分子抑制细胞粘附的物质，特别是粘附分子VLA-4，来预防或治疗由单核细胞、淋巴细胞和嗜酸性粒细胞侵袭引起的炎症性疾病的方法被揭示。提供了一组由羧酸衍生物代表的粘附分子抑制剂，例如，以其为有效成分的粘附分子抑制剂。
• Novel heterocyclic pesticidal compounds
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0294229A2

  公开（公告）日：1988-12-07

  Compounds of the formula (I) which contain between 10 and 27 carbon atoms, and wherein m and n are independently selected from 0, 1 and 2; R2a is hydrogen, methyl, or ethyl; R2b is acetylene or contains between 3 and 18 carbon atoms and is a group R7, wherein R7 is a C1-13 non-aromatic hydrocarbyl group, optionally substituted by a cyano or Ci-4 carbalkoxy group and/or by one or two hydroxy groups and/or by one to five halo atoms which are the same or different and/or by one to three groups R8 which are the same or different and each contain one to four hetero atoms, which are the same or different and are chosen from oxygen, sulphur, nitrogen and silicon, 1 to 10 carbon atoms and optionally 1 to 6 fluoro or chloro atoms or R2b is a 6-membered aromatic ring substituted by cyano and/or by one to three groups R8 and/or by a group -C≡CH, -C≡C-R7 or C≡C-halo and/or by one to five halo atoms and/or by one to three Ci-4 haloalkyl groups wherein R7 and R8 are as hereinbefore defined; R4 and R6 are the same or different and are chosen from hydrogen, methyl, trifluoromethyl or cyano; and R5 is hydrogen or methyl provided that R2b is not propyl or butyl are described which have pesticidal activity, particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (I), their use in the corttrol of pests and method for their preparation are also disclosed,

  式 (I) 的化合物 其中 m 和 n 独立地选自 0、1 和 2； R2a 是氢、甲基或乙基；R2b 是炔基或含有 3 至 18 个碳原子且是基团 R7，其中 R7 是 C1-13 非芳香族烃基，任选被氰基或 Ci-4 碳烷氧基和/或一个或两个羟基和/或一至五个相同或不同的卤原子和/或一至三个相同或不同且各含有一至四个杂原子的基团 R8 取代、或 R2b 是被氰基和/或被 1 至 3 个基团 R8 和/或被基团-C≡CH、-C≡C-R7 或 C≡C-halo 和/或被 1 至 5 个卤原子和/或被 1 至 3 个 Ci-4 卤烷基取代的 6 元芳香环，其中 R7 和 R8 如前定义；R4和R6相同或不同，选自氢、甲基、三氟甲基或氰基；R5为氢或甲基，但R2b不是丙基或丁基。还公开了含有式（I）化合物的杀虫制剂、其在防治害虫中的用途及其制备方法、
• Rhodium-catalysed hydroformylation of branched 1-alkenes; bulky phosphite vs. triphenylphosphine as modifying ligand
  作者：A Van Rooy

  DOI：10.1016/0022-328x(95)05748-e

  日期：1996.1.25

  The influence of alkyl substituents in l-alkene substrates in the rhodium-catalysed hydroformylation in the presence of tris(2-tert-butyl-4-methylphenyl) phosphite has been studied and compared with that observed for the reaction involving the conventional PPh(3)-modified catalyst. Hindered alkenes underwent hydroformylation at good rates (i.e. 1300 mol (mel Rh)(-1) h(-1) for 3,3-dimethyl-1-butene as T = 70 degrees C and P = 20 bar (H-2-CO)); under mild conditions the rates were only slightly affected by the alkyl substituents. The selectivity towards the linear aldehyde increases progressively with substitution, from 66% for 1-octene up to 100% for 3,3-dimethyl-1-butene, and the proportion of isomerized alkenes remained substantial (up to 17.4% for allylcyclohexane). The differences between the two systems are explained in terms of the different kinetics observed for them.