1-cyclohex-1-enyl isobutyrate

• 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: 1-cyclohex-1-enyl isobutyrate
• 英文别名: Cyclohexen-1-yl 2-methylpropanoate
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: PIDSTKSKTZFSRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异丁酸 、 环己烯 在 iron(III) trifluoromethanesulfonate 作用下， 反应 24.0h， 以88%的产率得到1-cyclohex-1-enyl isobutyrate
  参考文献：
  名称：

  Process for Production of Carboxylic Acid Ester or Ether Compound

  摘要：

  揭示了一种以低成本、高产率且在工业上具有优势的方式，从羧酸和烯烃生产羧酸酯或从醇和烯烃生产醚化合物的过程。该过程包括将羧酸与烯烃反应以产生相应的羧酸酯，或将醇与烯烃反应以产生相应的醚化合物的步骤。在该过程中，使用包括（i）至少一种选自铁化合物、钴化合物和镍化合物的金属化合物和（ii）酸性化合物的组合作为催化剂。

  公开号：

  US20090012324A1

文献信息

• The selective O-acylation of enolates providing a simple entry to O-enesters
  作者：Dominique Limat、Manfred Schlosser

  DOI：10.1016/0040-4020(95)00250-c

  日期：1995.5

  In the presence of catalytic amounts of a fluoride source, O-trimethylsilyl enethers undergo condensation with acyl fluorides to afford O-enesters with high yields. The intermediates and final products are pure (Z) isomers if only one double bound is in conjugation with the oxygen atom whereas (E) isomers prevail if silyl dienethers or trienethers and O-dienesters or O-trienesters are formed.

  在催化量的氟化物源存在下，O-三甲基甲硅烷基醚与酰基氟缩合，以高收率得到O-酯。如果仅一个双键与氧原子共轭，则中间体和最终产物为纯的（Z）异构体，而如果形成甲硅烷基二烯醚或三烯醚和O-二酯或O-三酯，则（E）异构体占优势。
• N- versus O-Arylation of Aminoalcohols:  Orthogonal Selectivity in Copper-Based Catalysts
  作者：Alexandr Shafir、Phillip A. Lichtor、Stephen L. Buchwald

  DOI：10.1021/ja068926f

  日期：2007.3.1

  Two complementary protocols for copper-catalyzed arylation of aminoalcohols were developed. Selective N-arylation was accomplished at room temperature using 2-isobutyrylcyclohexanone (a beta-diketone) as supporting ligand, while selective O-arylation required the use of 3,4,7,8-tetramethylphenanthroline at 80-110 degrees C. Systematic examination of the reaction scope revealed that high levels of selectivity are achieved for a variety of substrates, provided that nonchelating (or weakly chelating) aminoalcohols are used. The generality of the method was highlighted by the synthesis, in a pairwise fashion, of a number of functionalized N- and O-arylated aminoalcohols.
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：EP2958897A2

  公开（公告）日：2015-12-30
• [EN] COMPOUNDS USEFUL AS MODULATORS OF TRPM8<br/>[FR] COMPOSÉS UTILES COMME MODULATEURS DE TRPM8
  申请人：SENOMYX INC

  公开号：WO2014130582A2

  公开（公告）日：2014-08-28

  The present invention includes compounds useful as modulators of TRPM8, such as compounds of Formulae (Ia), (Ib) and (Ic), and the subgenus and species thereof; personal products containing those compounds; and the use of those compounds and the personal products, particularly the use of increasing or inducing chemesthetic sensations, such as cooling or cold sensations.