3,3,5,5-四甲基哌啶 | 1195-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3,3,5,5-四甲基哌啶
• 英文名称: 3,3,5,5-tetramethylpiperidine
• CAS: 1195-56-8
• 化学式: C₉H₁₉N
• mdl: MFCD09753441
• 分子量: 141.257
• InChiKey: TYNBPDGCJJZXPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3,3,5,5-四甲基哌啶 在 lithium hydroxide monohydrate 、 双氧水 、 三乙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 37.5h， 生成 (2R)-2-benzyl-3-[4-propoxy-3-[[[4-(3,3,5,5-tetramethylpiperidin-1-yl)benzoyl]amino]methyl]phenyl]propanoic acid
  参考文献：
  名称：

  Molecular dynamics study-guided identification of cyclic amine structures as novel hydrophobic tail components of hPPARγ agonists

  摘要：

  We previously reported that a α-benzylphenylpropanoic acid-type hPPARγ-selective agonist with a piperidine ring as the hydrophobic tail part (3) exhibited sub-micromolar-order hPPARγ agonistic activity. In order to enhance the activity, we planned to carry out structural development based on information obtained from the X-ray crystal structure of hPPARγ ligand binding domain (LBD) complexed with 3. However, the shape and/or nature of the binding pocket surrounding the piperidine ring of 3 could not be precisely delineated because the structure of the omega loop of the LBD was poorly defined. Therefore, we constructed and inserted a plausible omega loop by means of molecular dynamics simulation. We then used the reconstructed LBD structure to design new mono-, bi- and tricyclic amine-bearing compounds that might be expected to show greater binding affinity for the LBD. Here, we describe synthesis and evaluation of α-benzylphenylpropanoic acid derivatives 8. As expected, most of the newly synthesized compounds exhibited more potent hPPARγ agonistic activity and greater hPPARγ binding affinity than 3. Some of these compounds also showed comparable aqueous solubility to 3.

  DOI：

  10.1016/j.bmcl.2014.06.023
• 作为产物：
  描述：

  1-benzyl-3,3,5,5-tetramethylpiperidine 在 palladium on activated charcoal 、 bis(η3-allyl-μ-chloropalladium(II)) 氢气 作用下， 以 乙醇 为溶剂， 100.0 ℃ 、13.17 MPa 条件下， 反应 14.0h， 以33%的产率得到3,3,5,5-四甲基哌啶
  参考文献：
  名称：

  手性二茂铁基膦过渡金属配合物催化的不对称合成。10金（i）催化的异氰基乙酸酯的不对称醛醇缩合反应

  摘要：

  制备了在二茂铁基甲基位置上含有2-（二烷基氨基）乙基氨基的旋光二茂铁基双膦配体，并将其用于金（I）催化的异氰基乙酸酯与醛的不对称醛醇缩合反应。侧链末端的六元环胺（例如吗啉代或哌啶子基）具有最高的立体选择性，可生成具有高对映体的光学活性反式-4-甲氧羰基-5-烷基-2-恶唑啉（ee最高可达97％） -和非对映选择性的定量收率。

  DOI：

  10.1016/s0040-4020(01)88870-0

文献信息

• 1,2,4-Thiadazole compounds and use thereof
  申请人：Hara Hideki

  公开号：US20070004722A1

  公开（公告）日：2007-01-04

  The present invention relates to a 1,2,4-thiadiazole compound of the formula (I) represented by the formula (1): wherein R 1? represents C3-C7 alkynyl and X represents C4-C7 straight alkylene optionally substituted with one to four of R 2?, C4-C7 straight alkenylene optionally substituted with one to four of R 2?, ethylene-oxy-ethylene optionally substituted with one to four of R 4?, or ethylene-thio-ethylene optionally substituted with one to four of R 4?, R 2? represents a halogen atom, trifluoromethyl or C1-C4 alkyl, and R4 represents a fluorine atom or C1-C3 alkyl. The 1,2,4-thiadiazole compound has an excellent pests controlling activity, and can effectively control an pests such as insect pests, acarine pests and the like.

  本发明涉及一种由式（1）表示的式（I）的1,2,4-噻二唑化合物，其中R1?代表C3-C7炔基，X代表C4-C7直链烷基，可选地用一到四个R2?，C4-C7直链烯基，可选地用一到四个R2?，乙二醇基乙二醇，可选地用一到四个R4?，或者乙硫基乙二醇，可选地用一到四个R4?取代，R2?代表卤素原子、三氟甲基或C1-C4烷基，R4代表氟原子或C1-C3烷基。该1,2,4-噻二唑化合物具有优异的害虫控制活性，可以有效地控制昆虫害虫、螨虫等害虫。
• PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME
  申请人：MIZUNO Hajime

  公开号：US20100036117A1

  公开（公告）日：2010-02-11

  The present invention relates to a pyrimidine compound of the formula (II′): wherein R 1 represents a hydrogen atom, halogen atom or C1-C4 alkyl; R 3 represents a hydrogen atom, halogen atom or C1-C3 alkyl; X 3 represents C5 polymethylene, in which a single CH 2 —CH 2 may be replaced with a single CH═CH, substituted with at least one substituent selected from the group consisting of halogen atoms, trifluoromethyl and C1-C4 alkyls.

  本发明涉及一种式为（II'）的嘧啶化合物：其中R1代表氢原子、卤素原子或C1-C4烷基；R3代表氢原子、卤素原子或C1-C3烷基；X3代表C5聚亚甲基，其中单个CH2- 可以被单个CH═CH替换，取代至少包括卤素原子、三氟甲基和C1-C4烷基的一种取代基。
• ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL
  申请人：Ihara Hideki

  公开号：US20100137372A1

  公开（公告）日：2010-06-03

  An isoxazoline compound represented by the formula (I): wherein the substituents are as defined in the description, has controlling activity against pests.

  一种异噁唑啉化合物，其化学式表示为（I）：其中取代基如描述中定义的那样，具有对害虫的控制活性。
• Isoxazoline Compounds and their Use in Pest Control
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2308858A1

  公开（公告）日：2011-04-13

  The present invention relates to an isoxazoline compound represented by the formula (1): wherein the substituents are as defined in the description, which has a controlling activity against pests.

  本发明涉及一种由式（1）表示的异噁唑啉化合物： 其中的取代基如描述中所定义，该化合物具有防治害虫的活性。
• ANION-EXCHANGE MEMBRANE AND METHOD FOR PRODUCING SAME
  申请人：Tokuyama Corporation

  公开号：EP2351785A1

  公开（公告）日：2011-08-03

  Disclosed is an anion-exchange membrane which does not easily deteriorate even when used at high temperatures in a strong alkaline atmosphere. Also disclosed is a method for producing the anion-exchange membrane. The anion-exchange membrane is a microporous membrane which is composed of a water-insoluble resin and an anion-exchange resin filling the pores of the microporous membrane. The anion-exchange resin is composed of an anion-exchange resin wherein a quaternary ammonium salt group serving as an anion-exchange group is directly bonded to an aliphatic hydrocarbon chain, said anion-exchange resin being obtained by polymerizing and crosslinking a monomer composition which contains a crosslinking agent and a monomer component including a diallyl ammonium salt.

  本发明公开了一种阴离子交换膜，这种膜即使在强碱性环境中的高温下使用也不易老化。还公开了一种生产阴离子交换膜的方法。阴离子交换膜是一种微孔膜，由不溶于水的树脂和填充在微孔膜孔隙中的阴离子交换树脂组成。阴离子交换树脂由阴离子交换树脂组成，其中作为阴离子交换基团的季铵盐基团直接与脂肪族烃链键合，所述阴离子交换树脂是通过聚合和交联含有交联剂和包括二烯丙基铵盐的单体成分的单体组合物而获得的。