ethyl octyl carbonate | 45130-04-9

• 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
• 英文名称: ethyl octyl carbonate
• CAS: 45130-04-9
• 化学式: C₁₁H₂₂O₃
• 分子量: 202.294
• InChiKey: OGJBSLGBTHIXOV-UHFFFAOYSA-N

物化性质

• 沸点：
  247.2±9.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  辛醇 、 ethyl octyl carbonate 在 Amberlyst 15 作用下， 150.0 ℃ 、2.5 MPa 条件下， 反应 6.0h， 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
• 作为产物：
  描述：

  辛醇 、 焦碳酸二乙酯 在 magnesium(II) perchlorate 作用下， 反应 7.0h， 以91%的产率得到ethyl octyl carbonate
  参考文献：
  名称：

  在高氯酸镁促进的无溶剂条件下制备碳酸芳乙酯的一种新的、温和的、通用的和有效的途径

  摘要：

  报告了一种新的、通用的、温和的方法，用于直接合成由路易斯酸促进的芳基和烷基乙基碳酸酯。在 Mg(ClO4)2（一种 1,3-二羰基化合物的特定活化剂）存在下，该反应与二碳酸二乙酯平稳进行，并显示出普遍适用性。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejoc.200600366

文献信息

• 1-Methylcarbapenem derivatives
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040014962A1

  公开（公告）日：2004-01-22

  1-Methylcarbapenem compounds having antibacterial activity, pharmacologically acceptable esters or salts thereof and pharmaceutical compositions (particularly antibacterial agents) containing them as an active ingredient are described. In addition, the invention includes the use of these compounds, ester derivatives or salts for the manufacture of pharmaceutical compositions, or a method for the prevention or treatment of diseases (particularly bacterial infections) by administering a pharmacologically effective amount of the compounds, ester derivatives or salts to warm-blooded animals (particularly human beings).

  描述了具有抗菌活性的1-甲基碳青霉烯化合物、它们的药物可接受的酯或盐，以及含有它们作为活性成分的药物组合物（特别是抗菌剂）。此外，发明包括这些化合物、酯衍生物或盐用于制造药物组合物，或通过向温血动物（特别是人类）投给药物有效量的这些化合物、酯衍生物或盐，用于预防或治疗疾病（特别是细菌感染）的方法。
• 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。
• One-pot carbonyl reduction and carbonate formation using sodium borohydride in dialkyl carbonate solvents
  作者：Abdulakeem Osumah、Jakob Magolan、Kristopher V. Waynant

  DOI：10.1016/j.tetlet.2019.151203

  日期：2019.10

  Preparation of mixed carbonates proceeded in one step from ketones and aldehydes via treatment with NaBH4 in dimethyl or diethyl carbonate solvent at elevated temperatures. This is an efficient and convenient alternative to the traditional two-step sequence of carbonyl reduction to alcohol and subsequent carbonate formation by treatment with an alkyl chloroformate. 25 examples are presented from 49-92% yield

  通过在碳酸二甲酯或二乙基溶剂中用NaBH4处理，从酮和醛中一步制备混合碳酸盐。这是对羰基还原为醇和随后通过用氯甲酸烷基酯处理的随后碳酸盐形成的传统两步序列的有效且方便的替代方法。从49-92％的收率提供了25个实例，突出了该反应的多功能性。
• Immobilization of 1,5,7‐Triazabicyclo[4.4.0]dec‐5‐ene on Magnetic γ‐Fe ₂ O ₃ Nanoparticles: A Highly Recyclable and Efficient Nanocatalyst for the Synthesis of Organic Carbonates
  作者：Liqiang Wu、Shuanbao Tian

  DOI：10.1002/ejic.201301586

  日期：2014.4

  1,5,7-Triazabicyclo[4.4.0]dec-5-ene was immobilized on magnetic γ-Fe2O3 nanoparticles as a magnetic nanocatalyst. The nanoparticle reagent was obtained with good loading levels and has been successfully used for the efficient and selective synthesis of organic carbonates by the direct condensation of alcohols and diethyl carbonate. The catalyst is quantitatively recovered by an external magnet and

  1,5,7-三氮杂双环[4.4.0]dec-5-ene作为磁性纳米催化剂固定在磁性γ-Fe2O3纳米颗粒上。纳米颗粒试剂以良好的负载水平获得，并已成功用于通过醇和碳酸二乙酯的直接缩合有效和选择性地合成有机碳酸酯。催化剂通过外部磁铁定量回收，可重复使用六个循环，活性几乎一致。
• Catalytic Activity of MCM-41–TBD in the Selective Preparation of Carbamates and Unsymmetrical Alkyl Carbonates from Diethyl Carbonate
  作者：Silvia Carloni、Dirk E. De Vos、Pierre A. Jacobs、Raimondo Maggi、Giovanni Sartori、Raffaella Sartorio

  DOI：10.1006/jcat.2001.3439

  日期：2002.1

  The synthesis of carbamates 3 and unsymmetrical alkyl carbonates 5 by reaction of diethyl carbonate with aliphatic amines or alcohols has been realized by using as heterogeneous catalyst a hybrid organic–inorganic material prepared by anchoring TBD to MCM-41 silica. Products are obtained in high yield and very good selectivity and the solid catalyst can be recovered simply by filtration and reused

  通过碳酸二乙酯与脂族胺或醇的反应合成氨基甲酸酯3和不对称碳酸烷基酯5的方法是，将TBD固定在MCM-41二氧化硅上，使用有机-无机杂化材料作为非均相催化剂。以高收率和非常好的选择性获得产物，并且可以通过过滤简单地回收固体催化剂，并在不明显降低活性的情况下重新用于不同的循环。提出了一种受支持的N-甲乙氧基胍鎓活性中间体，并显示了一些光谱数据来支持机理假说。