carbonic acid heptyl ester-phenyl ester | 112406-25-4

• 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: carbonic acid heptyl ester-phenyl ester
• 英文别名: Kohlensaeure-heptylester-phenylester；Kohlensaeure-n-heptyl-phenyl-ester；n-Heptyl-phenyl-carbonat；heptylphenyl carbonate；Carbonic acid, heptyl phenyl ester；heptyl phenyl carbonate
• CAS: 112406-25-4
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: QEEKDIUXTJLWMX-UHFFFAOYSA-N

物化性质

• 沸点：
  322.5±15.0 °C(Predicted)
• 密度：
  1.016±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  正庚醇 、 氯甲酸苯酯 生成 carbonic acid heptyl ester-phenyl ester
  参考文献：
  名称：

  Morel, Bulletin de la Societe Chimique de France, 1899, vol. <3> 21, p. 828

  摘要：

  DOI：

文献信息

• Method for Producing Diaryl Carbonate
  申请人：Nishiyama Budianto

  公开号：US20120316357A1

  公开（公告）日：2012-12-13

  The present invention provides a method for continuously producing a diaryl carbonate stably for a long time with high productivity. The method for producing a diaryl carbonate according to the present invention comprises a step (1) of obtaining an alkylaryl carbonate; a step (2) of obtaining a reaction product from the alkylaryl carbonate; a step (3) of separating the diaryl carbonate and a high boiling component from the reaction product; and a step (4) of recycling the high boiling component into the steps (1) and/or (2), wherein the high boiling component recycled in the step (4) includes a particular compound, and the particular compound satisfies a particular condition.

  本发明提供了一种稳定长时间高产量连续生产二芳基碳酸酯的方法。根据本发明的生产二芳基碳酸酯的方法包括以下步骤：（1）获得烷基芳基碳酸酯；（2）从烷基芳基碳酸酯获得反应产物；（3）从反应产物中分离出二芳基碳酸酯和高沸点组分；（4）将高沸点组分回收到步骤（1）和/或（2）中，其中在步骤（4）中回收的高沸点组分包括特定化合物，且该特定化合物符合特定条件。
• Method for producing an aromatic carbonate
  申请人：Miyake Nobuhisa

  公开号：US20070055042A1

  公开（公告）日：2007-03-08

  A method for producing an aromatic carbonate, comprising: (1) performing a reaction between an organometal compound and carbon dioxide to obtain a reaction mixture containing a dialkyl carbonate formed by the reaction, (2) separating the dialkyl carbonate from the reaction mixture to obtain a residual liquid, (3) reacting the residual liquid with an alcohol to form at least one organometal compound and form water and removing the water from the organometal compound, and (4) reacting the dialkyl carbonate separated in step (2) with an aromatic hydroxy compound to obtain an aromatic carbonate.

  一种生产芳香族碳酸酯的方法，包括：（1）在有机金属化合物和二氧化碳之间进行反应，以获得反应混合物，其中包含通过反应形成的二烷基碳酸酯，（2）从反应混合物中分离出二烷基碳酸酯以获得残留液，（3）将残留液与醇反应，形成至少一种有机金属化合物并形成水，并从有机金属化合物中除去水，（4）将在步骤（2）中分离的二烷基碳酸酯与芳香族羟基化合物反应，以获得芳香族碳酸酯。
• 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：Shinohata Masaaki

  公开号：US20110133121A1

  公开（公告）日：2011-06-09

  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.

  本发明涉及一种从有机胺、碳酸衍生物和含有一种或多种羟基化合物中制得的N-取代氨基甲酸酯的制备方法，其中使用一种含有冷凝器的脲类生产反应容器反应有机胺、碳酸衍生物和羟基化合物，将含有羟基化合物的气体、来自碳酸衍生物衍生的含有羰基基团的化合物、以及在反应中形成的氨气体引入到脲类生产反应容器中的冷凝器中，使羟基化合物和含有羰基基团的化合物冷凝，其中在冷凝的羟基化合物中所含有的羟基化合物与冷凝的含有羰基基团的化合物中所含有的羰基基团的化合物的比例为1或更多，而且在从冷凝器中回收的氨气体中所含有的羰基基团（—C(═O)—）数与氨分子数的比例为1或更少。
• 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：US20140194650A1

  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.

  本发明是一种从有机胺、碳酸酯衍生物和含有一种或多种羟基化合物中制备N-取代的氨基甲酸酯的方法，其中利用一种尿素生产反应容器反应有机胺、碳酸酯衍生物和羟基化合物，该反应容器配有冷凝器，将含有羟基化合物的气体、由碳酸酯衍生物产生的含有羰基基团的化合物以及在反应中生成的氨引入到尿素生产反应容器中的冷凝器中，将羟基化合物和含有羰基基团的碳酸酯衍生物冷凝，其中在冷凝的羟基化合物中所含的羟基化合物的化学计量比与所冷凝的含有羰基基团的化合物的化学计量比为1或更多，而且所含有羰基基团的化合物中所含的羰基基团（-C(═O)-）的数量与从冷凝器中回收的氨分子数量的比率为1或更小。
• Manufacturing method for aromatic carbonates
  申请人：GENERAL ELECTRIC COMPANY

  公开号：EP0780361A1

  公开（公告）日：1997-06-25

  To provide a method by which aromatic carbonates can be efficiently manufactured from dialkyl carbonate and an aromatic hydroxy compound with little production of alkyl aromatic ether by-product. Manufacturing method for aromatic carbonates in which dialkyl carbonate and an aromatic hydroxy compound are reacted in the presence of a catalyst under the following conditions: (1) the catalyst used has a specified catalytic activity, (2) values are selected from within specified ranges for amount of catalyst used c, reaction time r, ratio d of raw materials in the reaction system, and reaction temperature t, (3) these values satisfy the relations g(r,t) ≤ 2 and f(c,r,t,d) ≥ 0.02, and (4) the selectivity for alkyl aromatic ethers is less than 1 percent, based on the amount of aromatic hydroxy compound fed to the reaction. Hereinabove, g(r,t,) = (r) ×exp[36-17 ×1000/(273 + t)}], f(c,r,t,d) = (c)×(r)xexp[36-17×1000/(273 + t)}×d/1 + d)2).

  提供一种方法，通过该方法可有效地用碳酸二烷基酯和一种芳香族羟基化合物制造芳香族碳酸盐，且几乎不产生烷基芳香醚副产品。 芳香族碳酸盐的制造方法，其中碳酸二烷基酯和芳香族羟基化合物在催化剂存在下进行反应，反应条件如下：(1) 所用催化剂具有规定的催化活性；(2) 催化剂用量 c、反应时间 r、反应体系中原料比例 d 和反应温度 t 的值在规定范围内选择；(3) 这些值满足 g(r,t) ≤ 2 和 f(c,r,t,d) ≥ 0.02，以及 (4) 根据加入反应的芳烃羟基化合物的量，烷基芳香醚的选择性小于 1%。 这里，g(r,t,) = (r) ×exp[36-17 ×1000/(273 + t)}]、 f(c,r,t,d) = (c)×(r)xexp[36-17×1000/(273 + t)}×d/1 + d)2)。