2-pentyl-1-cyanobenzene

• 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: 2-pentyl-1-cyanobenzene
• 英文别名: Amylbenzonitrile；2-pentylbenzonitrile
• 化学式: C₁₂H₁₅N
• 分子量: 173.258
• InChiKey: LYCALCIJYUIMEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-氰基苯甲醛 在 palladium on activated charcoal potassium tert-butylate 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 0.5h， 生成 2-pentyl-1-cyanobenzene
  参考文献：
  名称：

  2,3,4-三氢嘧啶并[2,1-a]异喹啉抑制FcεRI介导的肥大细胞活化。

  摘要：

  如今，基于报告基因技术的测定方法代表了制药行业中发现干扰刺激后靶细胞激活和信号传导的新型化合物类别的重要工具。在这里，我们描述了一种针对IgE加抗原肥大细胞活化的报告基因测定法，旨在鉴定预防I型过敏（过敏性鼻炎，过敏性结膜炎，过敏性哮喘以及急性和慢性荨麻疹）的物质。该测定基于命名为CPII的鼠类肥大细胞系，IgE加抗原刺激以及带有与荧光素酶连接的TNFα启动子作为报告系统的报告基因构建体。通过筛选约50,000种物质，发现该化合物2在该测定中抑制了亚微摩尔范围内的报告基因诱导。2的化合物2的类似物 由2-烷基取代的苯甲腈经1,3-二氨基丙烷的氨解，2-取代的2-苯基-1,4,5,6-的双金属化反应合成了3,4-三氢嘧啶并[2,1-a]异喹啉型。四氢嘧啶与正丁基和仲丁基butyl，与羧酸甲酯反应，最后进行酸性脱水。从约50种衍生物中选择化合物41作为前导结构，IC50为0.2 microM，TC50为2

  DOI：

  10.1021/jm9706628

文献信息

• ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF
  申请人：Li Song

  公开号：US20110009427A1

  公开（公告）日：2011-01-13

  The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or solvate thereof. Various substituents in the formula (I) are as defined in the specification. The present invention also relates to a pharmaceutical composition comprising the compound of formula (I), the preparation method of compound of formula (I), and the use of the compound for the preparation of a medicament for treating and/or preventing human peroxisome proliferators activated receptor δ (hPPARδ)-associated diseases and risk factors.

  本发明涉及一种具有式(I)的化合物，或其药学上可接受的盐或溶剂。式(I)中的各种取代基如规范中所定义。本发明还涉及包括式(I)化合物的药物组合物，式(I)化合物的制备方法，以及利用该化合物制备用于治疗和/或预防人类过氧化物酶体增殖物激活受体δ(hPPARδ)相关疾病和危险因素的药物的用途。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20210292351A1

  公开（公告）日：2021-09-23

  Disclosed are platinum or palladium complexes featuring tetradentate ligands with at least one side that has an NN binding motif are disclosed. The disclosed organometallic compounds have a structure of where M is Pt or Pd. Also provided are formulations comprising these organometallic compounds. Further provided are OLEDs and related consumer products that utilize these organometallic compounds.

  公开了具有至少一个具有NN结合基团的四齿配体的铂或钯配合物。所述的有机金属化合物具有以下结构，其中M为Pt或Pd。还提供了包含这些有机金属化合物的配方。还提供了利用这些有机金属化合物的OLED和相关消费产品。
• Preparation of Secondary Alkyl and Benzylic Zinc Bromides Using Activated Zinc Metal Deposited on Titanium Oxide
  作者：Heinz Stadtmüller、Björn Greve、Klaus Lennick、Abdellatif Chair、Paul Knochel

  DOI：10.1055/s-1995-3855

  日期：1995.1

  Sodium dispersed on titanium oxide readily reduces zinc chloride leading to a highly active zinc powder which inserts into secondary alkyl and benzylic bromides under mild conditions, producing the corresponding zinc reagents in high yields. Compared to zinc dust, this activated zinc allows the preparation of secondary benzylic zinc bromides with significantly less Wurtz-coupling products.

  分散在氧化钛上的钠很容易还原氯化锌，从而生成高活性锌粉，在温和的条件下，锌粉可插入仲烷基溴和苄基溴中，以高产率生成相应的锌试剂。与锌粉相比，这种活化锌可以制备仲烷基溴化锌，其 Wurtz 偶联产物显著减少。
• Method for producing an aromatic compound having an alkyl group with at least three carbon atoms
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0985649A2

  公开（公告）日：2000-03-15

  Aromatic compounds having an alkyl group with at least 3 carbon atoms are produced in a process comprising at least one of the following steps: (1) a step of contacting a starting material that contains an aromatic compound having a branched alkyl group with at least 3 carbon atoms, with a zeolite-containing catalyst in a liquid phase in the presence of hydrogen therein, thereby changing the position of the carbon atoms of the alkyl group bonding to the aromatic ring of the compound; (2) a step of contacting a starting material that contains an aromatic compound having a branched alkyl group with at least 3 carbon atoms, with a catalyst containing zeolite and containing rhenium and/or silver, in a liquid phase, thereby changing the position of the carbon atoms of the alkyl group bonding to the aromatic ring of the compound; (3) a step of contacting a halogenated aromatic compound having an alkyl group with at least 3 carbon atoms, with an acid-type catalyst, thereby isomerizing the compound; and (4) a step of treating a mixture of isomers of an aromatic compound having an alkyl group with at least 3 carbon atoms, with a zeolite adsorbent that contains at least one exchangable cation selected from alkali metals, alkaline earth metals, lead, thallium and silver, thereby separating a specific isomer from the isomer mixture through adsorption.

  具有至少 3 个碳原子烷基的芳香族化合物的生产工艺至少包括以下一个步骤： (1) 将含有至少 3 个碳原子的支链烷基的芳香族化合物的起始原料在液相中与含沸石的催化剂在氢存在的情况下接触，从而改变烷基的碳原子与化合物的芳香环键合的位置； (2) 将含有芳香族化合物的起始原料与含沸石和含铼和/或银的催化剂在液相中接触，该芳香族化合物具有至少 3 个碳原子的支链烷基，从而改变烷基碳原子与化合物芳香环键合的位置； (3) 将具有至少 3 个碳原子的烷基的卤代芳香族化合物与酸型催化剂接触，从而使该化合物异构化；以及 (4) 用沸石吸附剂处理具有至少 3 个碳原子的烷基的芳香族化合物的异构体混合物，该沸石吸附剂含有至少一种选自碱金属、碱土金属、铅、铊和银的可交换阳离子，从而通过吸附从异构体混合物中分离出特定的异构体。
• A method of producing an aromatic ketone and an aromatic ketone composition containing it
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1053990A2

  公开（公告）日：2000-11-22

  In a method of producing an aromatic ketone an aromatic compound having an R-CH2 group ( R denotes an alkyl group, aryl group, allyl group or aralkyl group) is oxidised in liquid phase by an oxygen-containing gas in the presence of a catalyst comprising a heavy metal compound and at least one compound selected from (1) ammonia, (2) organic basic compounds and (3) onium halides while the water produced in the reaction is removed from the reaction solution. An aromatic ketone composition produced by the process comprises the aromatic ketone and 10 ppm to 3 wt% of at least one compound selected from: a benzene derivative of the formula (II) a vinylbenzene of the formula (III) a benzaldehyde of the formula (IV) where X is a substituent; n is zero or 1 to 5; R is alkyl, aryl, allyl or aralkyl and R1 is hydrogen, alkyl, aryl, allyl or aralkyl.

  在一种生产芳香酮的方法中，具有 R-CH2 基团（R 表示烷基、芳基、烯丙基或芳烷基）的芳香化合物在液相中被含氧气体氧化，催化剂包括重金属化合物和至少一种选自(1)氨、(2)有机碱性化合物和(3)卤化铌的化合物，同时从反应溶液中除去反应中产生的水。 由该工艺制得的芳香酮组合物包括芳香酮和 10ppm 至 3 wt%的至少一种选自以下的化合物： 式 (II) 的苯衍生物 式 (III) 的乙烯基苯 式 (IV) 的苯甲醛 其中 X 为取代基；n 为零或 1 至 5；R 为烷基、芳基、烯丙基或芳烷基，R1 为氢、烷基、芳基、烯丙基或芳烷基。