p-(n-Propyloxy)-benzylcyanid | 50690-52-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: p-(n-Propyloxy)-benzylcyanid
• 英文别名: (p-Propoxyphenyl)acetonitril；4-Propyloxy-benzylcyanid；(4-propoxy-phenyl)-acetonitrile；2-(4-Propoxyphenyl)acetonitrile
• CAS: 50690-52-3
• 化学式: C₁₁H₁₃NO
• 分子量: 175.23
• InChiKey: GHTRHWRFHUGGOI-UHFFFAOYSA-N

物化性质

• 沸点：
  297.6±15.0 °C(Predicted)
• 密度：
  1.014±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  p-(n-Propyloxy)-benzylcyanid 在 氢氧化钾 、 sodium hydroxide 作用下， 以 二乙二醇 为溶剂， 反应 18.0h， 生成 1-(4-丙氧基苯基)环戊烷羧酸
  参考文献：
  名称：

  Investigations in the field of semisynthetic penicillins. XIV. 1-(Alkoxyphenyl)cyclopentyl-1-penicillins

  摘要：

  DOI：

  10.1007/bf00777383
• 作为产物：
  描述：

  4-丙氧基苯甲醛 在 sodium tetrahydroborate 、 氯化亚砜 作用下， 以 1,4-二氧六环 、 甲醇 、 乙腈 为溶剂， 生成 p-(n-Propyloxy)-benzylcyanid
  参考文献：
  名称：

  Design, synthesis and antiproliferative activity of tripentones: A new series of antitubulin agents

  摘要：

  Structure-activity relationship studies of a new series of tripentones (thieno[2.3-h]pyrrolizin-8-ones), led us to prepare several derivatives with antiproliferative activities. The most promising 3-(3-hydroxy-4-methoxyphenyl)thieno[2.3-b]pyrrolizin-8-one 20 (leukemia L1210. IC50= 15 nM) was shown to be a potent inhibitor of tubulin polymerization. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00403-6

文献信息

• Process for the preparation of piperidinylidene derivatives
  申请人：Takasago International Corporation

  公开号：EP0949247A1

  公开（公告）日：1999-10-13

  Disclosed is a process for economic, safe and simple production of a 2-phenyl-2-(2'-piperidinylidene)acetate derivative at a reduced number of steps in a high yield, which comprises allowing 2,3,4,5-Tetrahydro-6-methoxypyridine and a benzyl cyanide derivative represented by the following general formula (2): wherein R1 represents a hydrogen atom, a lower alkyl group, a lower alkoxy group, a halogen atom or an amino group, to undergo condensation reaction in the presence of an organic base such as 1,8-diazabicyclo[5.4.0]-7-undecene or a transition metal complex as a catalyst to produce a 2-phenyl-2-(2'-piperidinylidene)acetonitrile derivative represented by the following general formula (4): wherein R1 is as defined above; and the wavy line indicates a geometrical isomer, and then reacting with an alcohol in the presence of hydrogen chloride.

  本发明公开了一种经济、安全和简单的 2-苯基-2-(2'-哌啶亚基)乙酸酯衍生物的生产工艺，该工艺减少了步骤，产率高，包括允许 2,3,4,5-四氢-6-甲氧基吡啶和由下通式(2)代表的苄基氰衍生物： 其中 R1 代表氢原子、低级烷基、低级烷氧基、卤素原子或氨基，在有机碱如 1,8-二氮杂双环[5.4.0]-7-十一烯或过渡金属络合物作为催化剂存在下进行缩合反应，生成下通式 (4) 所代表的 2-苯基-2-(2'-哌啶亚基)乙腈衍生物： 其中 R1 如上定义；波浪线表示几何异构体，然后在氯化氢存在下与醇反应。
• Design of inhibitors from the three-dimensional structure of alcohol dehydrogenase. Chemical synthesis and enzymic properties
  作者：Charles Freudenreich、Jean Pierre Samama、Jean Francois Biellmann

  DOI：10.1021/ja00323a048

  日期：1984.5
• Profft; Drux, Journal fur praktische Chemie (Leipzig 1954), 1956, vol. <4> 3, p. 274,275
  作者：Profft、Drux

  DOI：——

  日期：——
• Semisynthetic penicillins. XIII. 1-Alkoxyphenylcyclopropyl- and cyclobutyl-penicillins
  作者：Sh. L. Mndzhoyan、M. G. Tsinker、A. R. Ovakimyan、Yu. Z. Ter-Zakharyan、É. V. Kazaryan、R. V. Paronikyan

  DOI：10.1007/bf00765910

  日期：1980.2
• Synthesis and Thermal Properties of Twin Dimers Containing Cyanostilbene Derivatives as a Mesogenic Group
  作者：T. Mihara、M. Ito、N. Koide

  DOI：10.1080/15421400490478326

  日期：2004.1

  We synthesized twin dimers ( TDs) with different linking groups between a mesogenic group and a flexible spacer, different spacer length, and different terminal alkyl chain length to clarify the effect of these groups on the mesomorphic properties of the TDs. A remarkable odd-even effect on the phase transition temperatures and nematic-isotrophic phase transition entropy changes was observed for the TDs with different spacer length. Liquid crystallinity of TDs with ester linking group was superior to that of TDs with ether linking group. Length of terminal group played an important role in exhibiting a smectic phase for TDs with ester linking group.