碳酸二辛酯 | 1680-31-5

• 物质功能分类: 有机原料 - 无机酸酯
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 碳酸二辛酯
• 英文名称: dioctyl carbonate
• 英文别名: carbonic acid dioctyl ester；Dicaprylyl carbonate
• CAS: 1680-31-5
• 化学式: C₁₇H₃₄O₃
• 分子量: 286.455
• InChiKey: PKPOVTYZGGYDIJ-UHFFFAOYSA-N

物化性质

• 熔点：
  -18 °C
• 沸点：
  117-119 °C(Press: 0.7-1 Torr)
• 密度：
  0.895 g/cm3(Temp: 22 °C)
• LogP：
  4.14 at 23.5℃ and pH1-14

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  20
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2917399090
• 危险性防范说明：
  P501,P261,P270,P210,P271,P264,P280,P370+P378,P337+P313,P305+P351+P338,P362+P364,P332+P313,P301+P312+P330,P302+P352+P312,P304+P340+P312,P403+P235
• 危险性描述：
  H302+H312+H332,H315,H319,H227
• 储存条件：
  室温

制备方法与用途

生物活性 Caprilyl碳酸酯二癸酯（Dicaprylyl Carbonate）是一种固体、植物来源的脂肪，作为一种干燥润肤剂具有出色的应用性能。它在防晒滤光片的增溶和分散方面表现出色。

体外研究显示，Caprilyl碳酸酯二癸酯的光泽值为389.8，其外观评价为哑光至丝绸般光滑。

反应信息

• 作为反应物：
  描述：

  碳酸二辛酯 在 Amberlyst 15 作用下， 150.0 ℃ 、2.5 MPa 条件下， 反应 6.0h， 生成 二辛醚
  参考文献：
  名称：

  Influence of the functionalization degree of acidic ion-exchange resins on ethyl octyl ether formation

  摘要：

  Ethyl octyl ether (EOE) can be obtained by the ethylation of 1-octanol by means of ethanol or diethyl carbonate over acidic ion-exchange resins. However, EOE formation has to compete with the less steric demanding formation of diethyl ether, by-product obtained from ethanol dehydration or diethyl carbonate decomposition. In the present work, the influence of the resin functionalization degree on EOE formation has been evaluated. A series of partially sulfonated resins (0.87-4.31 mmol H+/g) were prepared by the sulfonation of a macroreticular styrene-divinylbenzene copolymer. The catalysts were characterized, and subsequently, tested in a batch reactor (T = 150 degrees C, P = 25 bar). Amberlyst 15 and 46 were also tested for comparison purposes. Catalytic runs revealed that EOE formation occurred mainly in the firstly sulfonated domain of the polymer skeleton, the least crosslinked; while diethyl ether was formed in the whole polymer bead. Accordingly, the functionalization of the least accessible polymer domain, as a result of increasing the sulfonation temperature or by using a pre-swelling solvent, is not suitable to produce long chain ethers such as EOE; which are preferred as diesel fuels. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.reactfunctpolym.2014.02.007
• 作为产物：
  描述：

  辛醇 在 Amberlyst 15 作用下， 150.0 ℃ 、2.5 MPa 条件下， 反应 12.0h， 生成 碳酸二辛酯
  参考文献：
  名称：

  Influence of the functionalization degree of acidic ion-exchange resins on ethyl octyl ether formation

  摘要：

  Ethyl octyl ether (EOE) can be obtained by the ethylation of 1-octanol by means of ethanol or diethyl carbonate over acidic ion-exchange resins. However, EOE formation has to compete with the less steric demanding formation of diethyl ether, by-product obtained from ethanol dehydration or diethyl carbonate decomposition. In the present work, the influence of the resin functionalization degree on EOE formation has been evaluated. A series of partially sulfonated resins (0.87-4.31 mmol H+/g) were prepared by the sulfonation of a macroreticular styrene-divinylbenzene copolymer. The catalysts were characterized, and subsequently, tested in a batch reactor (T = 150 degrees C, P = 25 bar). Amberlyst 15 and 46 were also tested for comparison purposes. Catalytic runs revealed that EOE formation occurred mainly in the firstly sulfonated domain of the polymer skeleton, the least crosslinked; while diethyl ether was formed in the whole polymer bead. Accordingly, the functionalization of the least accessible polymer domain, as a result of increasing the sulfonation temperature or by using a pre-swelling solvent, is not suitable to produce long chain ethers such as EOE; which are preferred as diesel fuels. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.reactfunctpolym.2014.02.007

文献信息

• [EN] NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROARYLE-TRIAZOLE UTILISÉS COMME PESTICIDES
  申请人：BAYER AG

  公开号：WO2021013719A1

  公开（公告）日：2021-01-28

  The present invention relates to novel heteroaryl-triazole compounds of the general formula (I), in which the structural elements R1, R2, R3, R4 and R5 have the meaning given in the description, to formulations and compositions comprising such compounds and for their use in the control of animal pests including arthropods and insects in plant protection and to their use for control of ectoparasites on animals.

  本发明涉及一类新颖的杂芳基-三唑化合物，其通用公式为(I)，其中结构元素R1、R2、R3、R4和R5的含义如描述中所述，涉及包含此类化合物的制剂和组合物，以及它们在植物保护中用于控制包括节肢动物和昆虫的动物害虫的应用，以及它们用于控制动物体外寄生虫的应用。
• 一种常温常压制备有机碳酸酯的方法
  申请人：华东理工大学

  公开号：CN111362800B

  公开（公告）日：2023-01-17

  本发明涉及有机合成技术领域，提供了一种常温常压制备有机碳酸酯的方法，将二氧化碳通入咪唑类离子液体，得到混合物；然后将得到的混合物和醇、卤代烃混合，进行加成—取代反应得到有机碳酸酯，整个反应过程均在常温常压下进行。本发明利用咪唑类离子液体和卤代烃降低反应的活化能，最终实现了在常温常压条件下，利用CO2制备有机碳酸酯。
• RAPAMYCIN CARBONATE ESTERS
  申请人：Rhodes Alan

  公开号：US20090253733A1

  公开（公告）日：2009-10-08

  Certain embodiments include carbonate esters of rapamycin at position 42 that are synthesized by a lipase catalyzed regio-specific process. These compounds or a pharmaceutically acceptable salt thereof are useful in the treatment of organ and tissue transplant rejection, autoimmune disease, proliferative disorder, restenosis, cancer, or microbial infection.

  某些实施例包括通过脂肪酶催化的区域特异性过程合成的罗法昔明在第42位的碳酸酯。这些化合物或其药用可接受的盐在器官和组织移植排斥、自身免疫疾病、增殖性疾病、再狭窄、癌症或微生物感染的治疗中是有用的。
• ISOCYANATE PRODUCTION PROCESS
  申请人：Shinohata Masaaki

  公开号：US20110092731A1

  公开（公告）日：2011-04-21

  An object of the present invention is to provide a process that enables isocyanate to be produced stably over a long period of time and at high yield without encountering problems of the prior art during production of isocyanate without using phosgene. The present invention discloses a process for producing an isocyanate by subjecting a carbamic acid ester to a thermal decomposition reaction, including the steps of: recovering a low boiling point component in a form of a gaseous phase component from a thermal decomposition reaction vessel in which the thermal decomposition reaction is carried out; recovering a liquid phase component containing a carbamic acid ester from a bottom of the thermal decomposition reaction vessel; and supplying all or a portion of the liquid phase component to an upper portion of the thermal decomposition reaction vessel.

  本发明的一个目的是提供一种能够在长时间内稳定地高产且不使用光气的情况下生产异氰酸酯的方法，而不会遇到先前生产异氰酸酯时的问题。本发明公开了一种通过将氨基甲酸酯经受热分解反应来生产异氰酸酯的方法，包括以下步骤：从进行热分解反应的反应釜中回收形成气相组分的低沸点组分；从热分解反应釜底部回收含有氨基甲酸酯的液相组分；并将全部或部分液相组分供给至热分解反应釜的上部。
• PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE
  申请人：Shinohata Masaaki

  公开号：US20110054211A1

  公开（公告）日：2011-03-03

  An object of the present invention is to provide a process that enables isocyanate to be produced stably over a long period of time and at high yield without encountering problems of the prior art during production of isocyanate without using phosgene. The present invention provides an isocyanate production process including the steps of: obtaining a reaction mixture containing an aryl carbamate having an aryl group originating in a diaryl carbonate, an aromatic hydroxy compound originating in a diaryl carbonate, and a diaryl carbonate, by reacting a diaryl carbonate and an amine compound in the presence of a reaction solvent in the form of an aromatic hydroxy compound; transferring the reaction mixture to a thermal decomposition reaction vessel; and obtaining isocyanate by applying the aryl carbamate to a thermal decomposition reaction, wherein the reaction vessel in which the reaction between the diaryl carbonate and the amine compound is carried out and the thermal decomposition reaction vessel for the aryl carbamate are different.

  本发明的一个目的是提供一种能够在生产异氰酸酯时在长时间内稳定地且高产率地生产异氰酸酯的方法，而不使用光气时遇到先前技术问题的方法。本发明提供了一种异氰酸酯生产方法，包括以下步骤：通过在反应溶剂形式的芳香羟基化合物存在下，通过反应二芳基碳酸酯和胺化合物得到含有源自二芳基碳酸酯的芳基碳酸酯、源自二芳基碳酸酯的芳香羟基化合物和二芳基碳酸酯的反应混合物；将反应混合物转移至热分解反应容器；通过将芳基碳酸酯应用于热分解反应来获得异氰酸酯，其中进行二芳基碳酸酯和胺化合物之间的反应的反应容器和用于芳基碳酸酯的热分解反应的反应容器是不同的。