phenyl 2-methyl-3-phenylpropanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: phenyl 2-methyl-3-phenylpropanoate
• 化学式: C₁₆H₁₆O₂
• 分子量: 240.302
• InChiKey: SSFAKORXHDYINM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  3-苯基丙酸 在 六甲基磷酰三胺 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 phenyl 2-methyl-3-phenylpropanoate
  参考文献：
  名称：

  Enantioselective synthesis of allenecarboxylates from phenyl acetates through CC bond forming reactions

  摘要：

  A variety of optically active 4,4-disubstituted allenecarboxylic acid methyl esters were prepared from simple alpha,alpha -disubstituted phenyl acetate through base treatment of the esters to generate ketenes, followed by successive Horner-Wadsworth-Emmons reaction. The transformation was further developed as a one-pot procedure with satisfactory yields and high enantioselectivity. (C) 2001 EIsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00114-8

文献信息

• Pd-Catalyzed Regiodivergent Hydroesterification of Aryl Olefins with Phenyl Formate
  作者：Wenlong Ren、Wenju Chang、Yang Wang、Jingfu Li、Yian Shi

  DOI：10.1021/acs.orglett.5b01630

  日期：2015.7.17

  An effective Pd-catalyzed regiodivergent hydroesterification of aryl olefins with phenyl formate is described. Either linear or branched phenyl arylpropanoates can be obtained in good yields with high regioselectivities by the judicious choice of ligand without the use of toxic CO gas.

  描述了一种有效的钯催化的芳基烯烃与甲酸苯酯的Pd催化的区域发散性加氢酯化反应。通过明智地选择配体而无需使用有毒的CO气体，可以以高收率和高区域选择性获得直链或支链的苯基芳基丙酸酯。
• Organic compounds
  申请人：Givaudan SA

  公开号：US08877704B2

  公开（公告）日：2014-11-04

  Disclosed are certain compounds according to the general formula (I) and their use as flavoring and fragrancing compounds, as well as fragranced and flavored compositions comprising the compounds of formula (I), and methods for providing a flavor or fragrance to compositions and articles utilizing the compounds of formula (I).

  本发明涉及一些符合通式（I）的化合物，以及它们作为调味和香料化合物的用途，还包括含有通式（I）化合物的香味和味道组合物，以及利用通式（I）化合物为组合物和物品提供味道或香气的方法。
• Organic Compounds
  申请人：Givaudan SA

  公开号：US20140107006A1

  公开（公告）日：2014-04-17

  Disclosed are certain compounds according to the general formula (I) and their use as flavoring and fragrancing compounds, as well as fragranced and flavored compositions comprising the compounds of formula (I), and methods for providing a flavor or fragrance to compositions and articles utilizing the compounds of formula (I).

  本发明涉及一类化合物，其通式为(I)，以及它们作为风味和香料化合物的用途，以及包含通式(I)化合物的香味和味道组合物，以及利用通式(I)化合物为组合物和物品提供风味或香味的方法。
• Visible Light-Induced One-Pot Carbonylation of Alkyl Halides with Aryl Formates
  作者：Padon Chuentragool、Aurapat Ngamnithiporn、Prachnawadee Hongboon、Somsak Ruchirawat

  DOI：10.1021/acs.joc.3c02763

  日期：2024.3.15

  Described herein is the development of a visible-light-driven carbonylation of alkyl halides. The exploitation of visible light to activate Pd complexes and the use of formates to serve the dual role of a CO surrogate and a phenoxide source allow the preparation of esters in moderate to good yields. Its relatively mild reaction conditions and the ability to perform this transformation without direct

  本文描述了可见光驱动的卤代烷羰基化的发展。利用可见光激活 Pd 配合物，并使用甲酸盐发挥 CO 替代物和酚盐源的双重作用，可以以中等至良好的产率制备酯。其相对温和的反应条件以及无需直接处理有毒CO气体即可进行这种转化的能力，为从烷基卤化物中获取酯提供了一种实用的方法。
• Organocatalytic enantioselective decarboxylative protonation of α-alkyl-α-aryl malonate monoesters
  作者：Cong-Ying Guo、Jia-Zheng Chen、Wen-Ting Liu、Hao Mei、Jie Meng、Jian-Ping Chen

  DOI：10.1039/d3cc06018g

  日期：2024.4.2

  enzymatic enantioselective decarboxylative protonation (EDP), the corresponding chemocatalytic reactions of acyclic malonic acid derivatives remain challenging. Herein, we developed a biomimetic EDP of α-alkyl-α-aryl malonate monoesters using a chiral 1,2-trans-diaminocyclohexane-based N-sulfonamide as an organocatalyst. The method demonstrates excellent chemical yields, good enantioselectivity, mild reaction

  与成熟的酶促对映选择性脱羧质子化（EDP）相比，无环丙二酸衍生物的相应化学催化反应仍然具有挑战性。在此，我们使用手性1,2-反式-二氨基环己烷基N-磺酰胺作为有机催化剂，开发了α-烷基-α-芳基丙二酸单酯的仿生EDP。该方法表现出优异的化学产率、良好的对映选择性、温和的反应条件以及仅产生CO 2废物。