3-ethyldihydrocinnamic acid | 142332-76-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-ethyldihydrocinnamic acid
• 英文别名: 3-(3-Ethylphenyl)propanoic acid
• CAS: 142332-76-1
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: DFYRKWSEEMHOGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-ethyldihydrocinnamic acid 在 甲醇 、 lithium aluminium tetrahydride 、 正丁基锂 、 (-)-(S)-BINAL-H 、 sodium hexamethyldisilazane 、 二异丁基氢化铝 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 [(1R,2R,3R,5S)-2-[(E)-(S)-5-(3-Ethyl-phenyl)-3-(tetrahydro-pyran-2-yloxy)-pent-1-enyl]-5-hydroxy-3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-acetaldehyde
  参考文献：
  名称：

  Synthesis and in vitro evaluation of human FP-receptor selective prostaglandin analogues

  摘要：

  The in vitro evaluation of a series of saturated prostaglandins revealed that compounds with omega chain aromatic rings retain nanomolar potency for the human prostaglandin F receptor (hFP receptor), exemplified by compound 8. In contrast, the double bonds are required for activity in the series with an acyclic omega chain as in PGF(2 alpha). (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00273-0
• 作为产物：
  描述：

  (E)-3-(3-Ethyl-phenyl)-acrylic acid 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 3-ethyldihydrocinnamic acid
  参考文献：
  名称：

  Synthesis and in vitro evaluation of human FP-receptor selective prostaglandin analogues

  摘要：

  The in vitro evaluation of a series of saturated prostaglandins revealed that compounds with omega chain aromatic rings retain nanomolar potency for the human prostaglandin F receptor (hFP receptor), exemplified by compound 8. In contrast, the double bonds are required for activity in the series with an acyclic omega chain as in PGF(2 alpha). (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00273-0

文献信息

• [EN] BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS<br/>[FR] DÉRIVÉS DE BÉTUINE PERMETTANT DE PRÉVENIR OU DE TRAITER DES INFECTIONS À VIH
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD

  公开号：WO2017017607A1

  公开（公告）日：2017-02-02

  The present invention relates to compounds characterized by having a structure according to the following Formula (I), or a pharmaceutically acceptable salt thereof. Compounds of the present invention are useful for the treatment or prevention of HIV.

  本发明涉及具有如下式(I)结构的化合物，或其药用可接受盐。本发明的化合物用于治疗或预防HIV。
• Aldehyde as a Traceless Directing Group for Regioselective C–H Alkylation Catalyzed by Rhodium(III) in Air
  作者：Si-Qi Chen、Xin-Ran Li、Chao-Jun Li、Juan Fan、Zhong-Wen Liu、Xian-Ying Shi

  DOI：10.1021/acs.orglett.9b04433

  日期：2020.2.21

  The aromatic aldehyde as a traceless directing group for the regionselective C-H alkylation catalyzed by rhodium(III) under aerobic atmospheric conditions has been developed. The process involves an aldehyde assisted direct addition of C-H bond to unsaturated electrophiles of acrylates or acrylic acids, and the subsequent decarbonylation. A trace amount of water is found to favor the reaction.

  已经开发出芳香醛作为有氧大气条件下铑（III）催化的区域选择性CH烷基化的无痕导向基团。该方法涉及醛辅助的CH键直接加成到丙烯酸酯或丙烯酸的不饱和亲电子体上，以及随后的脱羰作用。发现痕量的水有利于该反应。
• EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE
  申请人：ExxonMobil Research and Engineering Company

  公开号：US20170158521A1

  公开（公告）日：2017-06-08

  A novel synthetic crystalline material, EMM-28, can be synthesized in the presence of an organic structure directing agent (Q) selected from one or more of the following dications: EMM-28 may be used in organic compound conversion reactions and sorptive processes.

  一种新型合成晶体材料EMM-28，可在存在有机结构定向剂（Q）的情况下合成，该剂可从以下一种或多种双阳离子中选择：EMM-28可用于有机化合物转化反应和吸附过程。
• Carboxylic acid derivatives that inhibit the binding of integrins to their receptors
  申请人：Biediger J. Ronald

  公开号：US20060276476A1

  公开（公告）日：2006-12-07

  A method for the inhibition of the binding of α 4 β 1 integrin to its receptors, for example VCAM-1 (vascular cell adhesion molecule-1) and fibronectin; compounds that inhibit this binding; pharmaceutically active compositions comprising such compounds; and to the use of such compounds either a above, or in formulations for the control or prevention of diseases states in which α 4 β 1 is involved.

  一种抑制α4β1整合素与其受体（例如VCAM-1（血管细胞黏附分子-1）和纤维连接蛋白）结合的方法；抑制这种结合的化合物；包含这种化合物的药物活性组合物；以及使用这种化合物的用途，无论是以上述方式还是在制剂中用于控制或预防α4β1参与的疾病状态。
• GLYCINE B ANTAGONISTS
  申请人：Henrich Markus

  公开号：US20120220577A1

  公开（公告）日：2012-08-30

  The invention relates to naphthalene derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are glycine B antagonists and are therefore useful for the control and prevention of various disorders, including neurological disorders.

  本发明涉及萘衍生物及其药学上可接受的盐。本发明还涉及一种制备这些化合物的方法。本发明中的化合物是甘氨酸B拮抗剂，因此对于控制和预防各种疾病，包括神经系统疾病，非常有用。