4-neopentylcyclohexanone | 606490-76-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-neopentylcyclohexanone
• 英文别名: 4-t.-Amylcyclohexanon；4-(2,2-Dimethylpropyl)cyclohexan-1-one
• CAS: 606490-76-0
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: ZSQGEFPFZOJHCH-UHFFFAOYSA-N

物化性质

• 沸点：
  217.8±8.0 °C(Predicted)
• 密度：
  0.885±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-neopentylcyclohexanone 、 苯肼,盐酸盐 在 三聚氯氰 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以98%的产率得到3-neopentyl-2,3,4,9-tetrahydro-1H-carbazole
  参考文献：
  名称：

  Mild, efficient Fischer indole synthesis using 2,4,6-trichloro-1,3,5-triazine (TCT)

  摘要：

  Mild and efficient protocol for the Fischer indole synthesis using TCT has been described. TCT serves as a mild and inexpensive catalyst. Under these conditions several functional groups such as ester, cyano, sulfone, amides, and ethers are tolerated. By this method, many functionalized analytically pure indoles were prepared easily without the need of purification. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.157

文献信息

• [EN] NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE<br/>[FR] NOUVELLES SPIRO-IMIDAZOLONES EN TANT QU'ANTAGONISTES DE RÉCEPTEUR DE GLUCAGON, COMPOSITIONS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SCHERING CORP

  公开号：WO2011119559A1

  公开（公告）日：2011-09-29

  The present invention relates to compounds of the general formula: wherein ring A, ring B, R1, R3, Z, L1, and L2 are selected independently of each other and are as defined herein, to compositions comprising the compounds, and to methods of using the compounds as glucagon receptor antagonists and for the treatment or prevention of type 2 diabetes and conditions related thereto.

  本发明涉及一般式化合物，其中环A、环B、R1、R3、Z、L1和L2彼此独立选择，并如本文所定义，涉及包含该化合物的组合物，以及使用该化合物作为胰高血糖素受体拮抗剂以及用于治疗或预防2型糖尿病及相关疾病的方法。
• Microwave-assisted regioselective olefinations of cyclic mono- and di-ketones with a stabilized phosphorus ylide
  作者：Jinlong Wu、Dan Li、Huafeng Wu、Lijie Sun、Wei-Min Dai

  DOI：10.1016/j.tet.2005.12.060

  日期：2006.5

  4-cyclohexanediones with the ylide at 190 °C for 20 min in MeCN afforded the exocyclic olefins in >94:6 isomer ratios. On the other hand, the same reactions carried out at 230 °C for 20 min in the presence of 20 mol % DBU furnished the endocyclic olefins in >83:17 isomer ratios. The base-mediated isomerization of the exocyclic olefins into the endocyclic isomers was primarily driven by thermodynamic stability of the

  在控制的微波加热下，许多环状的单酮和二酮与（carbethoxyethidene）三苯基磷芳烷进行区域选择性烯烃化反应。4-取代的环己酮或1,2-和1,4-环己二酮与ylide在MeCN中在190°C下进行Wittig反应20分钟，得到的外环烯烃的异构体比率> 94：6。另一方面，在20mol％DBU的存在下在230℃下进行20分钟的相同反应提供了＞ 83:17异构体比率的内环烯烃。碱介导的环外烯烃异构化成环内异构体主要是由产物的热力学稳定性驱动的，并且研​​究了环结构对去共轭作用的影响。
• Synthesis of phenothiazines from cyclohexanones and 2-aminobenzenethiols under transition-metal-free conditions
  作者：Yunfeng Liao、Pengcheng Jiang、Shanping Chen、Fuhong Xiao、Guo-Jun Deng

  DOI：10.1039/c3ra43989e

  日期：——

  A convenient method for the synthesis of various substituted phenothiazines from cyclohexanones and 2-aminobenzenethiols using molecular oxygen as hydrogen acceptor in the absence of transition-metals is described. For the first time cyclohexanones were used as coupling partners for the construction of phenothiazines.

  一种便利的方法被描述用于合成各种取代的苯噻嗪，该方法采用环己酮和2-氨基苯硫醇，以分子氧作为氢受体，且不需要过渡金属。这是第一次将环己酮用作构建苯噻嗪的偶联伙伴。
• NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE
  申请人：Wong Michael K.

  公开号：US20130012434A1

  公开（公告）日：2013-01-10

  The present invention relates to compounds of the general formula: wherein ring A, ring B, R1, R3, Z, L1, and L2 are selected independently of each other and are as defined herein, to compositions comprising the compounds, and to methods of using the compounds as glucagon receptor antagonists and for the treatment or prevention of type 2 diabetes and conditions related thereto.

  本发明涉及通式化合物：其中环A、环B、R1、R3、Z、L1和L2是彼此独立选择并如下所定义的，以及包含该化合物的组合物，以及使用该化合物作为胰高血糖素受体拮抗剂以及治疗或预防2型糖尿病及相关疾病的方法。
• Mild, efficient Fischer indole synthesis using 2,4,6-trichloro-1,3,5-triazine (TCT)
  作者：Eranna Siddalingamurthy、Kittappa M. Mahadevan、Jagadeesh N. Masagalli、Hosanagara N. Harishkumar

  DOI：10.1016/j.tetlet.2013.07.157

  日期：2013.10

  Mild and efficient protocol for the Fischer indole synthesis using TCT has been described. TCT serves as a mild and inexpensive catalyst. Under these conditions several functional groups such as ester, cyano, sulfone, amides, and ethers are tolerated. By this method, many functionalized analytically pure indoles were prepared easily without the need of purification. (C) 2013 Elsevier Ltd. All rights reserved.