p-chlorophenyl heptanoate | 85069-30-3

• 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 heptanoate
• 英文别名: 4-chlorophenyl enanthate；heptanoic acid-(4-chloro-phenyl ester)；Heptansaeure-(4-chlor-phenylester)；4-Chlor-1-heptanoyloxy-benzol；(4-Chlorophenyl) heptanoate
• CAS: 85069-30-3
• 化学式: C₁₃H₁₇ClO₂
• 分子量: 240.73
• InChiKey: XSHVPBLFRXNAJA-UHFFFAOYSA-N

物化性质

• 沸点：
  135 °C(Press: 2 Torr)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 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 heptanoate 在 三氯化铝 作用下， 生成 1-(5-chloro-2-hydroxy-phenyl)-heptan-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：

  对氯苯酚 、 庚酰氯 生成 p-chlorophenyl heptanoate
  参考文献：
  名称：

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

  摘要：

  DOI：

  10.1021/ja01333a058

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。
• 2-Aminophenol derivatives, methods for their preparation and composition containing the same
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0065874A1

  公开（公告）日：1982-12-01

  2-Aminophenol derivatives of general formula: [wherein R' represents a straight or branched chain alkyl group containing from 1 to 6 carbon atom(s), a group represented by general formula: (wherein R5 represents a hydrogen atom or a straight or branched chain alkyl group containing from 1 to 4 carbon atom(s) and n represents zero or an integer from 1 to 6) or a group represented by general formula: (wherein R6 represents a hydrogen atom, a halogen atom, a straight or branched chain alkyl group containing from 1 to 4 carbon atom(s), a straight or branched chain alkoxyl group containing from 1 to 4 carbon atom(s), a carbamoyl group, an alkoxycarbonyl group containing from 2 to 6 carbon atoms, a carboxyl group, an amino group, a sulfamoyl group or a cyano group and m represents zero or an integer of 1 or 2.), R2 represents a hydroxyl group, a straight or branched chain alkoxyl group containing from 1 to 4 carbon atom(s) or together with R3 an oxo group or a hydroxyimino group. R3 represents a hydrogen atom or together with R2 an oxo group or a hydroxyimino group. R° represents a halogen atom, a straight or branched chain alkyl group containing from 1 to 6 carbon atom(s) or a phenylthio group. With the exclusion of a compound wherein R2 and R3 taken together represent an oxo group, R' represents a methyl group and R4 represents a methyl group.] or their pharmaceutical acceptable acid addition salts which strongly inhibit 5-lipoxygenase specifically, or 5- lipoxygenase and cyclooxygenase at the same time, and are therefore useful as treating agents and preventing agents for diseases which are induced by leukotrienes e.g. allergic tracheal and bronchial diseases or allergic lung diseases, allergic shock and also various allergic inflammations which are induced by prostaglandins, and a process for their preparation and pharmaceutical compositions comprising them as active ingredients.

  通式如下的 2-氨基苯酚衍生物 [其中 R'代表含有 1 至 6 个碳原子的直链或支链烷基，由通式......代表的基团： (其中 R5 代表氢原子或含有 1 至 4 个碳原子的直链或支链烷基，n 代表零或 1 至 6 的整数）或通式：[其中 R6 代表氢原子或含有 1 至 4 个碳原子的直链或支链烷基，n 代表零或 1 至 6 的整数]所代表的基团： (其中 R6 代表氢原子、卤素原子、含 1 至 4 个碳原子的直链或支链烷基、含 1 至 4 个碳原子的直链或支链烷氧基、氨基甲酰基、含 2 至 6 个碳原子的烷氧羰基、羧基、氨基、氨基磺酰基或氰基，m 代表零或 1 或 2 的整数)，R2 代表羟基，R3 代表氢原子，R4 代表卤素原子。R2代表羟基、含有 1 至 4 个碳原子的直链或支链烷氧基，或与 R3 一起代表氧代基团或羟基亚氨基。R3 代表氢原子，或与 R2 一起代表一个氧代基团或羟基亚氨基基团。R° 代表卤素原子、含 1-6 个碳原子的直链或支链烷基或苯硫基。不包括 R2 和 R3 合在一起代表氧代基团、R'代表甲基和 R4 代表甲基的化合物]或其药物可接受的酸加成盐，它们能强烈抑制特定的 5-脂氧合酶，或同时抑制 5-脂氧合酶和环氧合酶，因此可用作白三烯诱导的疾病的治疗剂和预防剂，如过敏性气管炎和肺结核。例如过敏性气管和支气管疾病或过敏性肺部疾病、过敏性休克以及由前列腺素诱发的各种过敏性炎症，以及制备它们的工艺和含有它们作为活性成分的药物组合物。
• 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.
• The Alkyl Derivatives of Halogen Phenols and their Bactericidal Action. I. Chlorophenols
  作者：Emil Klarmann、Vladimir A. Shternov、Louis W. Gates

  DOI：10.1021/ja01333a058

  日期：1933.6