2-methoxyethyl cyclohexanecarboxylate | 36364-14-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-methoxyethyl cyclohexanecarboxylate
• 英文别名: cyclohexanecarboxylic acid-(2-methoxy-ethyl ester)；Cyclohexancarbonsaeure-(2-methoxy-aethylester)；Cyclohexanecarboxylic acid, 2-methoxyethyl ester
• CAS: 36364-14-4
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: MXOSCSCYXTXDAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  2-cyclohexyl-2-methoxy-[1,3]dioxolane 在 aluminum tri-tert-butoxide 作用下， 生成 2-methoxyethyl cyclohexanecarboxylate
  参考文献：
  名称：

  Ketene Acetals. XXXIV. Tetra- and Pentamethylene Ketene Acetals

  摘要：

  DOI：

  10.1021/ja01622a040

文献信息

• Oxidative Alkane C−H Alkoxycarbonylation
  作者：Lijun Lu、Renyi Shi、Luyao Liu、Jingwen Yan、Fangling Lu、Aiwen Lei

  DOI：10.1002/chem.201602791

  日期：2016.10.4

  compounds is an attractive prospect in organic synthesis. In particular, the combination of C(sp3)−H activation and oxidative carbonylation involving alkanes and CO gas is a promising and efficient method to synthesize carbonyl derivatives. However, due to the high C−H bond dissociation energy and low polarity of unactivated alkanes, the carbonylation of unactivated C(sp3)−H bonds still remains a great challenge

  在有机合成中，直接利用化学原料构造有价值的化合物是有吸引力的前景。特别地，C（sp 3）-H活化和涉及烷烃和CO气体的氧化羰基化的组合是合成羰基衍生物的有前途和有效的方法。然而，由于高C H键解离能和未活化烷烃的低极性，未活化C（sp 3的羰基化）-H键仍然是一个巨大的挑战。在这项工作中，我们介绍了烷烃的钯催化自由基氧化烷氧基羰基化反应，以制备许多烷基羧酸盐。各种烷烃和醇类相容，可产生所需的产物，产率高达94％。值得注意的是，在标准反应条件下，乙烷（天然气的一种成分）可以用作底物。初步的机理研究表明，钯催化的自由基过程可能存在。
• Direct Transacylation of 2,2,2-Trihaloethyl Esters with Amines and Alcohols Using Phosphorus(III) Reagents for Reductive Fragmentation and in Situ Activation
  作者：Jeremy J. Hans、Russell W. Driver、Steven D. Burke

  DOI：10.1021/jo991711m

  日期：2000.4.1

  reductants, with resultant carboxylate activation as an acyloxyphosphonium intermediate, and in situ trapping by amine or alcohol nucleophiles. Secondary and tertiary amides were synthesized, including a dipeptide, in good yields using hexamethylphosphorous triamide (Me2N)3P, as reducing agent. Optimal yields of esters derived from primary and secondary alcohols were obtained using tributylphosphine

  酰胺和酯是由一锅中的2,2,2-三卤代乙基酯使用磷-（III）试剂作为还原剂合成的，所得羧酸盐被活化为酰氧基phosph中间体，并通过胺或醇亲核试剂原位捕集。使用六甲基亚磷酸三酰胺（Me2N）3P作为还原剂，可以高收率合成仲酰胺和叔酰胺，包括二肽。使用三丁基膦和DMAP可获得来自伯醇和仲醇的酯的最佳收率。三溴乙基酯提供的收率优于三氯乙基酯获得的收率。
• [EN] NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRAZOLO[1,5-A]PYRIMIDINE UTILISÉS COMME INHIBITEURS DE MTOR
  申请人：SCHERING CORP

  公开号：WO2012027236A1

  公开（公告）日：2012-03-01

  The present invention relates to certain pyrazolo[1,5-a]pyrimidine compounds of Formula (I) as inhibitors of mammalian Target Of Rapamycin (mTOR) kinase, which is also known as FRAP, RAFT, RAPT or SEP. The compounds may be used in the treatment of cancer and other disorders where mTOR is deregulated. The present invention further provides pharmaceutical compositions comprising the pyrazolo[1,5-a]pyrimidine compounds.

  本发明涉及某些吡唑并[1,5-a]嘧啶化合物，其化学式为(I)，作为哺乳动物雷帕霉素靶蛋白(mTOR)激酶的抑制剂，也称为FRAP、RAFT、RAPT或SEP。这些化合物可用于治疗癌症和其他mTOR调节异常的疾病。本发明还提供了包含吡唑并[1,5-a]嘧啶化合物的药物组合物。
• Copper-Catalyzed Carbonylative Cross-Coupling of Alkyl Iodides with Alcohols and Sodium Hydroxide: Synthesis of Esters and Carboxylic Acids
  作者：Omaïma Adaoudi、Julie Le Bescont、Antoine Bruneau-Voisine、Gwilherm Evano

  DOI：10.1055/a-2042-3417

  日期：——

  copper-catalyzed carbonylative coupling between alkyl iodides and alcohols or sodium hydroxide. Upon reaction with catalytic amounts of copper(I) chloride and N,N,N′,N′′,N′′-pentamethyldiethylenetriamine under a mild pressure of carbon monoxide (5 bar), a range of secondary and tertiary alkyl iodides are readily converted into the corresponding esters and carboxylic acids without competing direct nucleophilic

  据报道，一种通用且廉价的催化系统用于烷基碘和醇或氢氧化钠之间的铜催化羰基化偶联。在温和的一氧化碳压力 (5 bar) 下，与催化量的氯化亚铜 (I) 和N , N , N ', N '', N ''-五甲基二亚乙基三胺反应，很容易生成一系列仲和叔烷基碘在没有竞争直接亲核取代的情况下转化为相应的酯和羧酸。该程序的主要优点包括其广泛的适用性、使用特别便宜且可用的催化系统以及用户友好性。
• SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND METHOD OF PRODUCING BLOCK COPOLYMER USING THE SAME
  申请人：Hanwha Total Petrochemical Co., Ltd.

  公开号：EP3670546A1

  公开（公告）日：2020-06-24

  The present invention relates to a solid catalyst for propylene polymerization and a method of producing a propylene polymer or copolymer using the solid catalyst for propylene polymerization, and provides a solid catalyst which prepares a dialkoxymagnesium carrier and is formed of a carrier produced through a reaction of the carrier with a metal halide, a titanium halide, an organic electron donor, etc., and a method of producing a propylene polymer or copolymer through copolymerization of propylene-alpha olefin using the solid catalyst, wherein the dialkoxymagnesium carrier has an uniform particle size range of 10 to 100 µm and a spherical particle shape by adjusting injection amounts, injection numbers, and reaction temperatures of metal magnesium, alcohol and a reaction initiator during a reaction process of metal magnesium and alcohol. Particularly, the present invention not only can produce polypropylene having high activity, excellent stereoregularity and hydrogen reactivity by performing a polymerization process through a solid catalyst which uses an internal electron donor including a carbonyl group and an alkoxy group out of two or more organic electron donors and is suggested in the present invention and a method of producing a propylene polymer or copolymer using the solid catalyst, but also can produce a block copolymer with a high rubber content by performing a copolymerization process with an alpha olefin.

  本发明涉及一种用于丙烯聚合的固体催化剂和一种使用该用于丙烯聚合的固体催化剂生产丙烯聚合物或共聚物的方法，并提供了一种固体催化剂，该催化剂制备了一种二羰基镁载体，并由载体与金属卤化物、钛卤化物、有机电子供体等反应生成的载体形成、以及使用该固体催化剂通过丙烯-α-烯烃的共聚生产丙烯聚合物或共聚物的方法，其中通过在金属镁和醇的反应过程中调整金属镁、醇和反应引发剂的注入量、注入次数和反应温度，该二烷氧基镁载体具有 10 至 100 微米的均匀粒径范围和球形颗粒形状。 特别是，本发明不仅可以通过固体催化剂进行聚合过程生产出具有高活性、优异立体规整性和氢反应性的聚丙烯，该固体催化剂使用了本发明中提出的在两个或多个有机电子供体中包括一个羰基和一个烷氧基的内部电子供体，以及使用该固体催化剂生产丙烯聚合物或共聚物的方法，还可以通过与α-烯烃进行共聚过程生产出橡胶含量高的嵌段共聚物。