p-chlorophenyl hexanoate | 68437-47-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: p-chlorophenyl hexanoate
• 英文别名: (4-Chlorophenyl) hexanoate
• CAS: 68437-47-8
• 化学式: C₁₂H₁₅ClO₂
• 分子量: 226.703
• InChiKey: CMPWIWHOKFLHBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  125-130 °C(Press: 2 Torr)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  p-chlorophenyl hexanoate 在 三氯化铝 作用下， 生成 1-(5-chloro-2-hydroxyphenyl)hexan-1-one
  参考文献：
  名称：

  The Alkyl Derivatives of Halogen Phenols and their Bactericidal Action. I. Chlorophenols

  摘要：

  DOI：

  10.1021/ja01333a058
• 作为产物：
  描述：

  5-butyl-2,2-dimethyl-1,3-dioxane-4,6-dione 、 对氯苯酚 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以81%的产率得到p-chlorophenyl hexanoate
  参考文献：
  名称：

  对环境有益的脱羧N-，O-和S-乙酰化和酰化作用

  摘要：

  已经报道了用于多种底物（胺，醇，酚，硫醇和）的乙酰化和酰化的操作简单且通用的方法。Meldrum的酸及其衍生物已被用作空气稳定，不挥发，具有成本效益且易于处理的乙酰化/酰化剂。易于分离的副产物（CO 2和丙酮）可分离分析纯的乙酰化产物，而无需进行后处理和任何色谱分离。

  DOI：

  10.1039/d0gc03731a

文献信息

• New air-stable iron catalyst for efficient dynamic kinetic resolution of secondary benzylic and aliphatic alcohols
  作者：Qiong Yang、Na Zhang、Mingke Liu、Shaolin Zhou

  DOI：10.1016/j.tetlet.2017.05.038

  日期：2017.6

  catalyst system for the dynamic kinetic resolution of secondary alcohols by combining the enzymatic resolution with an iron-catalyzed racemization. A new air-stable tricarbonyl (cyclopentadienone)iron complex is identified as the active racemization catalyst for this transformation without any additive. Various substrates including benzylic, heteroaromatic, aliphatic alcohols can be used and afford the

  我们在此报道了通过将酶促拆分与铁催化的外消旋相结合来实现仲醇的动态动力学拆分的催化剂体系。一种新型的空气稳定的三羰基（环戊二烯酮）铁络合物被确定为该外消旋的活性外消旋催化剂，无任何添加剂。可以使用各种底物，包括苄基，杂芳族，脂族醇，并以良好的收率和优异的对映选择性提供相应的酯。
• Process for the preparation of copolymers of ethylene with at least one other 1-alkene
  申请人：STAMICARBON B.V.

  公开号：EP0044119A2

  公开（公告）日：1982-01-20

  Process for the preparation of copolymers consisting of 25-85% by wt. of ethylene, 15-75% by wt. of at least one other 1-alkene and optionally up to 20% by wt. of a polyunsaturated compound with application of a catalyst system containing a compound of a metal from sub-groups IV-VI of the periodic system and a compound of a metal from groups I-III of the periodic system, in which at least one hydrocarbon group is bound directly to the metal atom via a carbon atom, the polymerization being carried out in the presence of a halogen-containing compound of the general formula where A is a phenyl group which may contain one or two substituent halogen atoms or alkyl groups, or is a thienyl, furyl, pyrollyl, N-alkylpyrollyl or pyridyl group, which group is bound to the carbon atom directly or via a carbonyl group, X is a chlorine or bromine atom, Y is a chlorine, bromine or hydrogen atom or a hydrocarbon group with 1-8 carbon atoms, and Z is a nitrile group, a carboxyl group, an ester group, a hydrocarbyloxyalkylcarboxyl group, an carboxylic acid halide group, an amide group, a benzoyl group, a carboxyphenyl group or a carboxylhydrocarbylphenyl group.

  制备由 25-85%（重量百分比）乙烯、15-75%（重量百分比）至少一种其他 1-烯烃和（任选）最多 20%（重量百分比）多不饱和化合物组成的共聚物的工艺，其中催化剂体系含有周期系第Ⅳ-Ⅵ亚族金属化合物和周期系第Ⅰ-Ⅲ族金属化合物。聚合反应是在通式如下的含卤素化合物存在下进行的 其中 A 是苯基，可含有一个或两个取代卤素原子或烷基，或者是噻吩基、呋喃基、吡咯基、 N-烷基吡咯基或吡啶基，该基团直接或通过羰基与碳原子结合；X 是氯原子或溴原子；Y 是氯、Z 为腈基、羧基、酯基、烃基羧基、羧酸卤化基、酰胺基、苯甲酰基、羧基苯基或羧基氢羧基苯基。
• Enzymatic Resolution, Desymmetrization, and Dynamic Kinetic Asymmetric Transformation of 1,3-Cycloalkanediols
  作者：Ann-Britt L. Fransson、Yongmei Xu、Karin Leijondahl、Jan-E. Bäckvall

  DOI：10.1021/jo060002n

  日期：2006.8.1

  An efficient desymmetrization of cis-1,3-cyclohexanediol to (1S, 3R)-3-(acetoxy)-1-cyclohexanol ((R, S)-2a) was performed via Candida antarctica lipase B (CALB)-catalyzed transesterification, in high yield (up to 93%) and excellent enantioselectivity (ee's up to > 99.5%). (R, R)-Diacetate ((R, R)-3a) was obtained in a DYKAT process at room temperature from (1S, 3R)-3-acetoxy-1-cyclohexanol ((R, S)-2a), in a high trans/cis ratio (91: 9) and in excellent enantioselectivity of > 99%. Metal- and enzyme-catalyzed dynamic transformation of cis/trans-1,3-cyclohexanediol using PS-C gave a high diastereoselectivity for cis-diacetate (cis/trans) 97: 3). The (1R, 3S)-3-acetoxy-1-cyclohexanol (ent-(R, S)-2a) was obtained from cis-diacetate by CALB-catalyzed hydrolysis in an excellent yield (97%) and selectivity (> 99% ee). By deuterium labeling it was shown that intramolecular acyl migration does not occur in the transformation of cis-monoacetate to the cis-diacetate.
• Dynamic kinetic resolution of secondary aromatic alcohols with new efficient acyl donors
  作者：Gang Xu、Yongjun Chen、Jianping Wu、Yongmei Cheng、Lirong Yang

  DOI：10.1016/j.tetasy.2011.06.034

  日期：2011.7

  A new and efficient dynamic kinetic resolution (DKR) process of secondary aromatic alcohols by using long carbon-chain esters as acyl donors has been developed. During the process, the transesterification catalyzed by CD8604 was found to be the main reason for the decrease in enantiomeric excess (ee). Using complex acyl donors, such as 4-chlorophenyl valerate, we could effectively inhibit the resin-catalyzed transesterification, and an excellent ee value (>99%) at high yield (>99%) was achieved. The mechanism for the inhibition of resin-catalyzed transesterification is believed to be the formation of micro-micelles in the pores of CD8604. It is noteworthy that the system can be reused more than 20 times without a loss of yield or ee value. (C) 2011 Elsevier Ltd. All rights reserved.
• PROCESS FOR THE PREPARATION OF LOW MOLECULAR WEIGHT COPOLYMERS OF ETHYLENE WITH AT LEAST ONE OTHER 1-ALKENE
  申请人：DSM N.V.

  公开号：EP0705284A1

  公开（公告）日：1996-04-10