valeric acid, 4-cyanophenyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: valeric acid, 4-cyanophenyl ester
• 英文别名: (4-cyanophenyl) pentanoate
• 化学式: C₁₂H₁₃NO₂
• 分子量: 203.241
• InChiKey: MMIDKFMIMXKQFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-羟基苯甲腈 、 戊酰氯 以 三乙胺 为溶剂， 以to give 4-cyanophenyl valerate which的产率得到valeric acid, 4-cyanophenyl ester
  参考文献：
  名称：

  Imidazole derivatives for blocking the release of arachidonic acid from phospholipids

  摘要：

  化合物式（I）及其盐，其中R1为氢，卤，氰，氰基烷基，烷基，烷氧基，苯氧基，苯基，烷氧羰基，-NR13R14，-N（R15）SO2R16，卤代烷氧基，卤代烷基，芳基烷氧基，羟基，苯基烷基，烷氧羰基乙烯基，-SOnR7，烷氧羰基烷基，羧基烷基，-CONR11R12，氨基乙烯基，-O-SO2R21，4,5-二氢噻唑-2-基，4,4-二甲基-2-噁唑烷-2-基，-NR60R61或-(O)z-L3-G（G= -NR22R23，-SOmR26，CONR27R28或-OR29）;R2和R3独立地为氢，卤，烷基，烷氧基，-NR13R14，卤代烷氧基，卤代烷基，羟基，-SOnR7或-NR60R61;L1为键，烷基，环烷基或环烷基亚甲基;T为键，O，S，SO，SO2，CO或1,3-二氧杂环戊烷-2-基亚甲基;L2为烷基，环烷基或环烷基亚甲基;R6为氢或烷基;Q为烷基;Y为咪唑基，具有抗炎，抗过敏和免疫调节作用。还公开了含有这些化合物的组合物和制备它们的过程。

  公开号：

  US06326500B1

文献信息

• Rhodium-Catalyzed Carbonylative Coupling of Alkyl Halides with Phenols under Low CO Pressure
  作者：Han-Jun Ai、Hai Wang、Chong-Liang Li、Xiao-Feng Wu

  DOI：10.1021/acscatal.0c00933

  日期：2020.5.1

  A rhodium-catalyzed carbonylative transformation of alkyl halides under low pressure of CO has been developed. This robust catalyst system allows using phenols as the carbonylative coupling partner and, meanwhile, exhibits high functional group tolerance and good chemoselectivity. Substrates even with a large steric hindrance group or multiple reaction sites can be selectively converted into the desired

  已经开发了在CO的低压下铑催化烷基卤的羰基化转化。这种强大的催化剂体系允许使用酚类作为羰基偶合伴侣，同时具有较高的官能团耐受性和良好的化学选择性。甚至具有大的位阻基团或多个反应位点的底物也可以以良好或优异的产率选择性地转化为所需产物。进行了克级实验，并交付了几乎定量的产品。还进行了对照实验，并提出了可能的反应机理。
• Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole
  申请人：Knoll Aktiengesellschaft

  公开号：US06031109A1

  公开（公告）日：2000-02-29

  Compounds of formula I ##STR1## where R.sub.1 -R.sub.3, L.sub.1, T, L.sub.2 --N--Q--Y and R.sub.6 are as defined in the specification, and pharmaceutically acceptable salts thereof which are antiinflammatory, antiallergic and immunomodulant agents, compositions containing these compounds and processes to make them.

  式子I的化合物，其中R.sub.1-R.sub.3，L.sub.1，T，L.sub.2--N--Q--Y和R.sub.6的定义如说明书中所述，并且其药学上可接受的盐是抗炎，抗过敏和免疫调节剂，包含这些化合物的组合物以及制造它们的过程。
• Imidazole derivatives for blocking the release of arachidonic acid from phospholipids
  申请人：Abbott Laboratories

  公开号：US06326500B1

  公开（公告）日：2001-12-04

  Compounds of formula (I) and salts thereof, wherein R1 is hydrogen, halo, cyano, cyanoalkyl, alkyl, alkoxy, phenoxy, phenyl, alkoxycarbonyl, —NR13R14, —N(R15)SO2R16, haloalkoxy, haloalkyl, arylalkoxy, hydroxy, phenylalkyl, alkoxycarbonylvinyl, —SOnR7, alkoxycarbonylalkyl, carboxylalkyl, —CONR11R12, carbamoylvinyl, —O—SO2R21, 4,5-dihydrothiazol-2-yl, 4,4-dimethyl-2-oxazolin-2-yl, —NR60R61 or —(O)z—L3—G (G=−NR22R23, —SOmR26, CONR27R28 or —OR29); R2 and R3 are independently hydrogen halo, alkyl, alkoxy, —NR13R14, haloalkoxy, haloalkyl, hydroxy, —SOnR7 or —NR60R61; L1 is a bond, alkylene, cycloalkylene or cycloalkylidene; T is a bond, O, S, SO, SO2, CO or 1,3-dioxolan-2-ylidene; L2 is alkylene, cycloalkylene or cycloalkylidene; R6 is hydrogen or alkyl; Q is alkylene; and Y is imidazolyl, which are antiinflammatory, antiallergic and immunodulant agents. Compositions containing these compounds and processes to make them are also disclosed.

  化合物式（I）及其盐，其中R1为氢，卤，氰，氰基烷基，烷基，烷氧基，苯氧基，苯基，烷氧羰基，-NR13R14，-N（R15）SO2R16，卤代烷氧基，卤代烷基，芳基烷氧基，羟基，苯基烷基，烷氧羰基乙烯基，-SOnR7，烷氧羰基烷基，羧基烷基，-CONR11R12，氨基乙烯基，-O-SO2R21，4,5-二氢噻唑-2-基，4,4-二甲基-2-噁唑烷-2-基，-NR60R61或-(O)z-L3-G（G= -NR22R23，-SOmR26，CONR27R28或-OR29）;R2和R3独立地为氢，卤，烷基，烷氧基，-NR13R14，卤代烷氧基，卤代烷基，羟基，-SOnR7或-NR60R61;L1为键，烷基，环烷基或环烷基亚甲基;T为键，O，S，SO，SO2，CO或1,3-二氧杂环戊烷-2-基亚甲基;L2为烷基，环烷基或环烷基亚甲基;R6为氢或烷基;Q为烷基;Y为咪唑基，具有抗炎，抗过敏和免疫调节作用。还公开了含有这些化合物的组合物和制备它们的过程。
• Ni(II)-Mediated Photochemical Oxidative Esterification of Aldehydes with Phenols
  作者：Lu-Lu Chai、You-Hui Zhao、David James Young、Xinhua Lu、Hong-Xi Li

  DOI：10.1021/acs.orglett.2c02560

  日期：2022.9.30

  The photopromoted, Ni-catalyzed acceptorless dehydrogenation esterification of phenols and aromatic aldehydes has been achieved in an oxidant- and external photosensitizer-free manner. This reliable and atom-economical transformation was tolerant to a wide range of functional groups and proceeded efficiently to give various aryl benzoates in moderate to high yields. Additionally, this photocatalytic

  酚和芳香醛的光促进、Ni 催化的无受体脱氢酯化反应以无氧化剂和无外部光敏剂的方式实现。这种可靠且原子经济的转化对广泛的官能团具有耐受性，并有效地进行，以中等至高产率得到各种苯甲酸芳基酯。此外，该光催化体系在采用双镍和芳香醛催化的脂肪醛和苯酚的析氢交叉偶联方面表现出高活性。
• PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS
  申请人：G.D. SEARLE & CO.

  公开号：EP0574545A1

  公开（公告）日：1993-12-22