Butyl 4-phenylbutyl carbonate

• 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: Butyl 4-phenylbutyl carbonate
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: OADSFAFBWSTAEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  正溴丁烷 、 4-苯基丁醇 、 caesium carbonate 在 四丁基碘化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 以91%的产率得到Butyl 4-phenylbutyl carbonate
  参考文献：
  名称：

  Alkyl Carbonates:  Efficient Three Component Coupling of Aliphatic Alcohols, CO₂, and Alkyl Halides in the Presence of Cs₂CO₃

  摘要：

  DOI：

  10.1021/jo990520g

文献信息

• Efficient Cs2CO3-promoted solution and solid phase synthesis of carbonates and carbamates in the presence of TBAI
  作者：Ralph N Salvatore、Feixia Chu、Advait S Nagle、Elona A Kapxhiu、Richard M Cross、Kyung Woon Jung

  DOI：10.1016/s0040-4020(02)00286-7

  日期：2002.4

  Novel solution and solid-phase methods for the synthesis of carbonates and carbamates were developed using cesium bases and TBAI via a three-component coupling. Cesium carbonate not only promoted successful carbonylations of alcohols and carbamations of amines, but also suppressed common side reactions traditionally seen using existing protocols. Various alcohols and amines were examined, using a wide

  利用铯碱和TBAI，通过三组分偶联，开发了用于合成碳酸盐和氨基甲酸酯的新型溶液和固相方法。碳酸铯不仅可以促进醇的成功羰基化和胺的氨基甲酸酯化，而且还可以抑制传统上使用现有方案观察到的常见副反应。使用各种各样的烷基卤化物检查了各种醇和胺，结果表明该方法具有高度的化学选择性。特别地，使用对空间有要求的底物或氨基酸衍生物只能提供相应的产物，从而提供了广泛的应用，例如新颖的保护基和拟肽合成。
• Cs2CO3 promoted O-alkylation of alcohols for the preparation of mixed alkyl carbonates
  作者：Feixia Chu、Eric E. Dueno、Kyung Woon Jung

  DOI：10.1016/s0040-4039(99)00084-2

  日期：1999.3

  The presence of cesium carbonate and tetrabutylammonium iodide (TBAI) facilitated efficient O-alkylation of alcohols with alkyl halides, giving rise to the exclusive formation of mixed alkyl carbonates. The cesium effect was also examined comparatively with other alkali carbonates. (C) 1999 Elsevier Science Ltd. All rights reserved.
• METHOD FOR PRODUCING ISOCYANATE
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP2980066B1

  公开（公告）日：2021-04-21
• N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester
  申请人：Miyake Nobuhisa

  公开号：US20110160476A1

  公开（公告）日：2011-06-30

  The present invention provides a method for producing N-substituted carbamic acid-O-aryl ester derived from a compound having an ureido group, the method comprising the step of carrying out esterification or esterification and transesterification from the compound having the ureido group and a hydroxy composition containing one type or a plurality of types of hydroxy compounds.
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US20140194644A1

  公开（公告）日：2014-07-10

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.