trans-1-(3-cyanophenyl)prop-1-ene | 74254-14-1

• 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: trans-1-(3-cyanophenyl)prop-1-ene
• 英文别名: 3-[(E)-prop-1-enyl]benzonitrile
• CAS: 74254-14-1
• 化学式: C₁₀H₉N
• 分子量: 143.188
• InChiKey: KAJJDIGDGBWEHP-DUXPYHPUSA-N

物化性质

• 沸点：
  247.1±19.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  trans-1-(3-cyanophenyl)prop-1-ene 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 作用下， 生成 3-n.propylbenzylamine
  参考文献：
  名称：

  De Amici; De Micheli; Pratesi, Farmaco, Edizione Scientifica, 1987, vol. 42, # 6, p. 409 - 424

  摘要：

  DOI：
• 作为产物：
  描述：

  3-烯丙基苯甲腈 在 nickel(II) iodide 、 锰 、 6,6'-二甲基-2,2'-联吡啶 、 亚磷酸二乙酯 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 24.0h， 以82%的产率得到trans-1-(3-cyanophenyl)prop-1-ene
  参考文献：
  名称：

  一种E式甲基苯乙烯类化合物的合成方法

  摘要：

  一种由烯丙基型苯异构成E式烷基苯乙烯类化合物的方法，它是在氮气保护下，将丙烯基型苯在金属镍盐、配体和添加剂存在下，在溶剂中，在0℃～50℃反应24‑36h,即得E式烷基苯乙烯类化合物，所述的配体是2，2’‑联吡啶或烷基取代的2，2’‑联吡啶；所述的添加剂是锰粉、锌粉、亚磷酸二乙酯、苯基亚磷酸乙酯、乙酸的一种或多种。本发明的制备方法具有方法简单，原料便宜、易得，操作简便等优点。

  公开号：

  CN110878012A

文献信息

• THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF
  申请人：Adachi Kunitomo

  公开号：US20100041643A1

  公开（公告）日：2010-02-18

  [Solving means] A thienotriazolodiazepine compound of the following formula (I) a pharmaceutical agent containing the compound as an active ingredient, and a production intermediate and a production method of the thienotriazolodiazepine compound. [Effect]Since this compound has an inhibitory action on costimulatory signal from CD28 on T cell, it is useful for the prophylaxis or suppression of rejection reaction in transplantation of organ or bone marrow and the like, and the prophylaxis or treatment of autoimmune diseases or allergic diseases.

  【解决方法】以下式(I)的噻唑三唑二氮杂环化合物，以其为活性成分的药物制剂，以及噻唑三唑二氮杂环化合物的生产中间体和生产方法。 【效果】由于该化合物对T细胞上的CD28共刺激信号具有抑制作用，因此它对于预防或抑制器官或骨髓移植等排斥反应，以及预防或治疗自身免疫性疾病或过敏疾病非常有用。
• BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION
  申请人：Oshima Kunio

  公开号：US20130040941A1

  公开（公告）日：2013-02-14

  The present invention provides a novel benzodiazepine compound that blocks the I Kur current or the Kv1.5 channel potently and more selectively than other K + channels. The benzodiazepine compound of the invention is represented by General Formula (1) wherein R 1 , R 2 , R 3 , and R 4 are each independently hydrogen or lower alkyl; R 2 and R 3 may be linked to form lower alkylene; A 1 is lower alkylene optionally substituted with one or more hydroxy; and R 5 is group represented by wherein R 6 and R 7 are each independently hydrogen or organic group; X A and X B are each independently bond, lower alkylene, etc.

  本发明提供了一种新型苯二氮平化合物，能够有效地阻断IKur电流或Kv1.5通道，比其他K+通道更具选择性。本发明的苯二氮平化合物由通式（1）表示，其中R1、R2、R3和R4各自独立地为氢或低碳基；R2和R3可以连接形成低碳链；A1为低碳链，可选地取代一个或多个羟基；R5为由下式表示的基团：其中R6和R7各自独立地为氢或有机基团；XA和XB各自独立地为键，低碳链等。
• THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1887008B1

  公开（公告）日：2021-04-21
• Singlet State Cis,Trans Photoisomerization and Intersystem Crossing of 1-Arylpropenes
  作者：Frederick D. Lewis、Dario M. Bassani、Richard A. Caldwell、David J. Unett

  DOI：10.1021/ja00102a014

  日期：1994.11

  The temperature dependence of the singlet state lifetime and photoisomerization and fluorescence quantum yields for trans- and cis-1-phenylpropene have been determined in hexane solution. Calculated barriers for twisting about the double bond on the singlet potential energy surface are 8.8 and 4.6 kcal/mol for the trans and cis isomer, respectively. The barrier for the trans isomer is sufficiently high to prevent isomerization on the singlet state surface at or below room temperature. However, isomerization occurs at low temperatures as a consequence of intersystem crossing to the triplet state, which undergoes barrierless isomerization. The quantum yield for intersystem crossing, as determined by time-resolved photoacoustic calorimetry, is 0.60 +/- 0.03 and the rate constant for intersystem crossing is 4.7 x 10(7) s(-1). While internal conversion is not significant at or below room temperature, thermally activated internal conversion competes with singlet isomerization at high temperatures. The cis isomer undergoes isomerization predominantly via the singlet state at room temperature. Both electron-donating (p-methoxy) and electron-withdrawing (m- and p-cyano, p-carbomethoxy, and p-trifluormethyl) aromatic substituents are found to lower the barrier for singlet state isomerization. Increased solvent polarity (acetonitrile vs hexane) results in variable decreases in the barrier for singlet state isomerization. Photoisomerization of the p-cyano derivative at room temperature occurs predominantly via the triplet state in hexane solution and via the singlet state in acetonitrile solution. The effects of substituents and solvent are better correlated with the magnitude of the S-2-S-1 energy gap than the stability of either zwitterionic or biradical intermediates. Rate constants for intersystem crossing are, in most cases, not highly dependent upon aromatic substitution or solvent polarity.
• TYROSINE DERIVATIVES
  申请人：GENENTECH, INC.

  公开号：EP1214292B1

  公开（公告）日：2007-06-13