N-cyclohexylmethanimine oxide | 183969-41-7

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: N-cyclohexylmethanimine oxide
• CAS: 183969-41-7
• 化学式: C₇H₁₃NO
• 分子量: 127.186
• InChiKey: PTQVJTGPPNNFIZ-UHFFFAOYSA-N

物化性质

• 沸点：
  227.1±23.0 °C(Predicted)
• 密度：
  0.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  28.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-cyclohexylmethanimine oxide 在 氘代三氟乙酸 作用下， 以 水 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  取代尿嘧啶的稠合异恶唑烷基衍生物中的氮转化：合成、核磁共振和计算分析

  摘要：

  通过 N-保护的亚甲基硝酮与 1,3-二甲基尿嘧啶衍生物的 1,3-偶极环加成反应制备了一系列稠合异恶唑烷，它们的 NMR 光谱已在 TFA-d 和 CDCl3 中在很宽的温度范围内记录。光谱表明所有异恶唑烷都存在两种转化体。使用 DFT 量子化学计算确定了环加合物 6a 中氮转化的障碍。我们的估计表明，反演以更复杂的路径进行，涉及四个局部最小值结构和四个过渡状态。

  DOI：

  10.1007/s11224-016-0755-4
• 作为产物：
  描述：

  N-甲基环己胺 在 sodium tetrahydroborate 、 selenium(IV) oxide 、 双氧水 、 mercury(II) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-cyclohexylmethanimine oxide
  参考文献：
  名称：

  N，N-二取代羟胺不对称氧化汞（II）的区域化学

  摘要：

  N，N-二取代的羟胺分别被具有一个和两个氢原子的α和α'碳原子氧化的汞（II）氧化，以高度区域选择性的方式生成醛亚硝酮。如初生动力学同位素效应所示，速率确定步骤涉及α质子的去除。

  DOI：

  10.1016/0040-4020(96)00904-0

文献信息

• [EN] REGULATORS FOR CONTROLLING LINEAR AND PSEUDO-RING EXPANSION POLYMERIZATION OF VINYL MONOMERS<br/>[FR] RÉGULATEURS POUR RÉGULER LA POLYMÉRISATION LINÉAIRE ET PAR EXPANSION DE PSEUDO-CYCLES DE MONOMÈRES VINYLIQUES
  申请人：DISPOLTEC B V

  公开号：WO2017076992A1

  公开（公告）日：2017-05-11

  The invention concerns new regulator compounds for a novel polymerization process for vinyl monomers, which yields polymers with improved control over composition and nearly full to full conservation of architectural integrity up to high conversion. The regulator compounds are defined by according to anyone of the Formulas (1A), (1B), (1C), (1D), (1E), (1F), (1G), (1H) and (1I), wherein R1 stands for an optionally substituted secondary or tertiary alkyl or secondary or tertiary aralkyl; Z1 stands for -CN or a carboxylic acid ester of formula C(O)OR21; Z2 may be chosen from the group of -CN, carboxylic acid, salts of carboxylic acids, carboxylic acid ester, carboxylic acid amides, (hetero)aryl, alkenyl and halogen; R2, R3, R4 and R5 are each independently chosen from the group of H, alkyl, aralkyl, (hetero)aryl, -CN and carboxylic acid ester of formula C(O)OR22; R7 stands for a primary alkyl or primary aralkyl, -CN or hydrogen; Y stands for a bridging group and n is 2, 3, 4, 5 or 6; in case R1 stands for tertiary alkyl or tertiary aralkyl, R6 stands for a primary alkyl or primary aralkyl, -CN or a carboxylic acid ester of formula C(O)OR26; in case R1 stands for a secondary alkyl or secondary aralkyl, R6 stands for a primary or secondary alkyl or primary or secondary aralkyl, -CN, a carboxylic acid ester of formula C(O)OR26 or a phosphonic acid ester of formula P(O)(OR27)2, a (hetero)aryl or an alkenyl; R21, R22, R26 and R27 each independently stand for alkyl or aralkyi having from 1-30 carbon atoms, optionally containing heteroatoms.

  该发明涉及一种用于乙烯单体的新型聚合过程的调节剂化合物，该过程产生具有改善的组成控制和在高转化率下几乎完全至完全保持结构完整性的聚合物。调节剂化合物根据以下任一式(1A)、(1B)、(1C)、(1D)、(1E)、(1F)、(1G)、(1H)和(1I)中的任一式定义，其中R1代表可选择地取代的二级或三级烷基或二级或三级芳基烷基；Z1代表-CN或具有C(O)OR21式的羧酸酯；Z2可从-CN、羧酸、羧酸盐、羧酸酯、羧酸酰胺、(杂)芳基、烯基和卤素的群中选择；R2、R3、R4和R5分别独立地选择自H、烷基、芳基烷基、(杂)芳基、-CN和具有C(O)OR22式的羧酸酯的群；R7代表初级烷基或初级芳基、-CN或氢；Y代表桥接基，n为2、3、4、5或6；如果R1代表三级烷基或三级芳基，则R6代表初级烷基或初级芳基、-CN或具有C(O)OR26式的羧酸酯；如果R1代表二级烷基或二级芳基，则R6代表初级或二级烷基或初级或二级芳基、-CN、具有C(O)OR26式的羧酸酯或具有P(O)(OR27)2式的膦酸酯、(杂)芳基或烯基；R21、R22、R26和R27各自独立地代表具有1-30个碳原子的烷基或芳基，可选择地含有杂原子。
• Regulators for controlling linear and pseudo-ring expansion polymerization of vinyl monomers
  申请人：DISPOLTEC B.V.

  公开号：US10947325B2

  公开（公告）日：2021-03-16

  New regulator compounds for a novel polymerization process for vinyl monomers, which yields polymers with improved control over composition and nearly full to full conservation of architectural integrity up to high conversion. The regulator compounds are defined by according to anyone of the Formulas 1A, 1B, 1C, 1D, 1E, 1F, 1G, 1H and 1I: wherein R1 stands for an optionally substituted secondary or tertiary alkyl or secondary or tertiary aralkyl; Z1 stands for —CN or a carboxylic acid ester of formula C(O)OR21; Z2 may be chosen from the group of —CN, carboxylic acid, salts of carboxylic acids, carboxylic acid ester, carboxylic acid amides, (hetero)aryl, alkenyl and halogen; R2, R3, R4 and R5 are each independently chosen from the group of H, alkyl, aralkyl, (hetero)aryl, —CN and carboxylic acid ester of formula C(O)OR22; R7 stands for a primary alkyl or primary aralkyl, —CN or hydrogen; Y stands for a bridging group and n is 2, 3, 4, 5 or 6; in case R1 stands for tertiary alkyl or tertiary aralkyl, R6 stands for a primary alkyl or primary aralkyl, —CN or a carboxylic acid ester of formula C(O)OR26; in case R1 stands for a secondary alkyl or secondary aralkyl, R6 stands for a primary or secondary alkyl or primary or secondary aralkyl, —CN, a carboxylic acid ester of formula C(O)OR26 or a phosphonic acid ester of formula P(O)(OR27)2, a (hetero)aryl or an alkenyl; R21, R22, R26 and R27 each independently stand for alkyl or aralkyl having from 1-30 carbon atoms, optionally containing heteroatoms.

  用于乙烯基单体新型聚合工艺的新型调节剂化合物，该工艺生产的聚合物可改善对成分的控制，并在高转化率条件下几乎完全保持结构的完整性。这些调节剂化合物是根据公式 1A、1B、1C、1D、1E、1F、1G、1H 和 1I 中的任何一个公式定义的： 其中 R1 代表任选取代的仲或叔烷基或仲或叔烷基；Z1 代表-CN 或式 C(O)OR21 的羧酸酯；Z2 可选自-CN、羧酸、羧酸盐、羧酸酯、羧酸酰胺、（杂）芳基、烯基和卤素；R2、R3、R4 和 R5 各自独立地选自 H、烷基、芳基、（杂）芳基、-CN 和式 C(O)OR22 的羧酸酯组；R7 代表伯烷基或伯芳基、-CN 或氢；如果 R1 代表叔烷基或叔芳烷基，R6 代表伯烷基或伯芳烷基、-CN 或式 C(O)OR26 的羧酸酯；R1代表仲烷基或仲烷基，R6代表伯烷基或仲烷基或伯烷基或仲烷基、-CN、式C(O)OR26的羧酸酯或式P(O)(OR27)2的膦酸酯、（杂）芳基或烯基；R21、R22、R26和R27各自独立地代表具有1-30个碳原子的烷基或芳烷基，可选择含有杂原子。
• Deoxygenation of N,N-disubstituted hydroxylamines by carbon disulfide
  作者：Martin A. Schwartz、Jiping Gu、Xiufeng Hu

  DOI：10.1016/s0040-4039(00)91706-4

  日期：1992.3

  Hindered N,N-dialkylhydroxylamines react rapidly with CS2 to give the corresponding 2-degrees-amines.
• Palladium-catalyzed cascade one-pot synthesis of 5-arylmethylisoxazolidines from N-homoallylhydroxylamines with aryl bromides
  作者：Dahong Jiang、Jinsong Peng、Yuanwei Chen

  DOI：10.1016/j.tet.2007.12.014

  日期：2008.2

  A novel method for the synthesis of 5-arylmethylisoxazolidines via palladium-catalyzed reactions of aryl bromides with N-homoallylhydroxyl-amines is described. This reaction effects intramolecular C-O bond formation with concomitant intermolecular formation of a C-C bond in moderate to good yields. Moderate to excellent diastereoselectivities are observed for the formation of the isoxazolidines. The catalytic system has a tolerance to a wide variety of functional groups. (C) 2007 Elsevier Ltd. All rights reserved.
• $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
  申请人：CENTAUR PHARMACEUTICALS, INC.

  公开号：EP1025079A1

  公开（公告）日：2000-08-09