Biscyclohexylmethylcarbonat | 18420-40-1

• 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: Biscyclohexylmethylcarbonat
• 英文别名: Bis-(cyclohexanmethyl)-carbonat；Bis(cyclohexylmethyl) carbonate
• CAS: 18420-40-1
• 化学式: C₁₅H₂₆O₃
• 分子量: 254.37
• InChiKey: PMOQCOLBSSAQFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 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：

  二氧化碳 、 环己甲醇 在 2-氰基吡啶 、 cerium(IV) oxide 作用下， 149.84 ℃ 、5.0 MPa 条件下， 反应 48.0h， 以49%的产率得到Biscyclohexylmethylcarbonat
  参考文献：
  名称：

  Organic carbonate synthesis from CO2 and alcohol over CeO2 with 2-cyanopyridine: Scope and mechanistic studies

  摘要：

  The combination system of CeO2-catalyzed carboxylation and 2-cyanopyridine hydration (CeO2 + 2-cyanopyridine system) is effective for the direct synthesis of organic carbonates from CO2 and alcohols. This catalyst system can be applied to various alcohols to afford the corresponding carbonates in high alcohol-based yields. The hydration of 2-cyanopyridine over CeO2 rapidly proceeds under the low concentration of water, which can remove the water from the reaction media. Since the reaction is limited by the chemical equilibrium, the removal of water remarkably shifts the chemical equilibrium to the carbonate side, leading to high carbonate yields. In addition, 2-picolinamide that is produced by hydration of 2-cyanopyridine forms an intramolecular hydrogen bonding between H atom of the amide group and N atom of the pyridine ring, which weakens the adsorption of 2-picolinamide on CeO2 by reduction of the acidity. The reaction mechanism of DMC formation in CeO2 + 2-cyanopyridine system is also proposed. (C) 2014 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jcat.2014.07.022

文献信息

• Mode of decomposition of chloro- and fluoro-formates of some carbohydrates and related compounds
  作者：N. Baggett、K.W. Buck、A.B. Foster、R. Jefferis、J.M. Webber

  DOI：10.1016/s0008-6215(00)80188-3

  日期：1967.6

  established that thermal and catalytic decomposition of certain alkyl haloformates affords dialkyl carbonates in addition to alkyl halides. Pyridine(or quinoline)-catalysed decomposition of ethyl and cyclohexyl chloroformate and ethyl fluoroformate affords high yields of alkyl halides, but cyclohexyl fluoroformate yields a significant proportion of dialkyl carbonate. In compounds containing the structural unit

  摘要已经确定，某些烷基卤甲酸酯的热催化分解除烷基卤化物外，还提供碳酸二烷基酯。吡啶（或喹啉）催化的氯甲酸乙酯和氯甲酸环己酯和氟代甲酸乙酯的分解可提供高产率的烷基卤化物，但氟代环己基酯可产生相当大比例的碳酸二烷基酯。在含有结构单元O·CC·O·CO·Hal的化合物中，氯甲酸酯会生成烷基氯和碳酸二烷基酯，而在氟甲酸酯中，碳酸二烷基酯是唯一的产物。已经检查了以下化合物的卤素形式：环己烷甲醇，2-（羟甲基）四氢吡喃，1,2：3,4-二-O-异亚丙基-α-D-半乳糖，1,2：3,4-二-O-异亚丙基-DL 0木糖醇和反式-2-甲氧基环己醇。
• [EN] ALKYLATION OF PHENOLIC COMPOUNDS<br/>[FR] ALKYLATION DE COMPOSÉS PHÉNOLIQUES
  申请人：UNIV SYDNEY

  公开号：WO2015051402A1

  公开（公告）日：2015-04-16

  The invention relates to a process for O-alkyiation of a phenolic compound comprising at least two hydroxyl groups bonded to an aromatic hydrocarbon, the process comprising reacting the phenolic compound with an alkylating agent in the presence of a base, at a suitable reaction temperature and for a suitable time period, thereby alkylating the at least two hydroxy] groups. The invention also relates to O-alkylaled phenolic compounds produced by this process.

  这项发明涉及一种用于对含有至少两个羟基与芳香烃键合的酚类化合物进行O-烷基化的过程，该过程包括在碱的存在下，将酚类化合物与烷基化剂在适当的反应温度和适当的时间内反应，从而使至少两个羟基发生烷基化。该发明还涉及由该过程产生的O-烷基化酚类化合物。
• METHOD FOR PRODUCING URETHANES
  申请人：Franzke Axel

  公开号：US20120203022A1

  公开（公告）日：2012-08-09

  The content of the invention is a process for preparing urethanes by reaction of aromatic amines with a dialkyl carbonate, wherein the alkyl radical of the organic dialkyl carbonate comprises 4-18 carbon atoms and is branched in the 2 position, and the reaction is performed in the presence of a substoichiometric amount of base, based on the amino groups.

  本发明的内容是一种通过芳香胺与二烷基碳酸酯反应制备脲的方法，其中有机二烷基碳酸酯的烷基基团包括4-18个碳原子，并且在2位是支链的，反应在亚化学计量的碱存在下进行，基于氨基团。
• ASYMMETRICAL CARBONATE COMPOUND AND MANUFACTURING METHOD THEREOF
  申请人：Ube Industries, Ltd.

  公开号：EP2253710A1

  公开（公告）日：2010-11-24

  This is to provide a process for preparing an asymmetric carbonate compound from a symmetric carbonate compound and an ester compound with good yield, which is simple and easy, and industrially suitable. Disclosed is a process for prepaing an asymmetric carbonate compound which comprises allowing a symmetric carbonate compound represented by the formula (1) to react with an ester compound represented by the formula (2) in the presence of a hydrolase.

  本发明旨在提供一种由对称碳酸酯化合物和酯化合物制备不对称碳酸酯化合物的工艺，该工艺收率高，简单易行，适合工业化生产。 本发明公开了一种制备不对称碳酸酯化合物的工艺，该工艺包括让式 (1) 所代表的对称碳酸酯化合物与式 (2) 所代表的酯化合物在水解酶存在下反应。
• Bioavailable prodrugs of androgenic steroids and related method
  申请人：——

  公开号：US20030134830A1

  公开（公告）日：2003-07-17

  A compound is provided for increasing the concentration of a parent androgen in a subject in vivo. The parent androgen has a skeletal structure including a 1 position and a 17 position, a 17&bgr;-hydroxy group comprising a 17&bgr;-hydroxy oxygen appended to the 17 position, and a 17&bgr;-hydroxy hydrogen appended to the 17&bgr;-hydroxy oxygen. The compound includes a substrate having the skeletal structure of the parent androgen. It includes a 1 position and a 17 position corresponding to the 1 and 17 positions respectively of the parent androgen. The substrate has a carbon-carbon double bond at the 1 position. The compound also has a promoiety appended to the 17&bgr;-hydroxy oxygen of the substrate as a substitute for the 17&bgr;-hydroxy hydrogen of the parent androgen. The promoiety includes, and preferably consists of, an alkylcarbonate ester. A related method also is provided.

  本发明提供了一种化合物，用于提高体内受试者体内母体雄激素的浓度。母体雄激素的骨架结构包括1位和17位，17&bgr;-羟基包括与17位相连的17&bgr;-羟基氧和与17&bgr;-羟基氧相连的17&bgr;-羟基氢。该化合物包括具有母体雄激素骨架结构的底物。它包括一个 1 位和一个 17 位，分别对应于母体雄激素的 1 位和 17 位。底物在 1 位上有一个碳碳双键。该化合物还有一个原基附加在底物的 17&bgr;-羟基氧上，以替代母体雄激素的 17&bgr;-羟基氢。原基包括，最好是烷基碳酸酯。还提供了一种相关的方法。