3-(1,3-Dioxolan-2-yl)-1-phenylpropan-1-ol | 53597-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(1,3-Dioxolan-2-yl)-1-phenylpropan-1-ol
• CAS: 53597-17-4
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: QKCAODRQIONQTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(1,3-Dioxolan-2-yl)-1-phenylpropan-1-ol 在 偶氮二甲酸二叔丁酯 、 三苯基膦 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 32.0h， 生成
  参考文献：
  名称：

  N-脒基亚胺离子与吲哚环加成构建饱和胍杂环

  摘要：

  我们报告说，结构复杂的胍杂环可以通过N-脒基亚胺离子与吲哚或苯并噻吩的区域和立体选择性 [4 + 2]-环加成反应一步制备。与这些异二烯与烯烃的反应相反，密度泛函理论 (DFT) 计算表明，这些环加成以协调的异步方式发生。在[4 + 2] -环的Ñ -amidinyliminium离子（1,3-二氮杂-1,3-二烯）与吲哚和苯并噻吩是独特的，作为与[4 + 2]的-cycloadditions N- acyliminium离子（1- oxa-3-aza-1,3-diene）显然是未知的。

  DOI：

  10.1021/acs.orglett.1c02832
• 作为产物：
  描述：

  (2-(1,3-dioxolan-2-yl)ethyl)magnesium bromide 、 苯甲醛 以 四氢呋喃 为溶剂， 以83%的产率得到3-(1,3-Dioxolan-2-yl)-1-phenylpropan-1-ol
  参考文献：
  名称：

  The insulin secretory action of novel polycyclic guanidines: Discovery through open innovation phenotypic screening, and exploration of structure–activity relationships

  摘要：

  We report the discovery of the glucose-dependent insulin secretogogue activity of a novel class of polycyclic guanidines through phenotypic screening as part of the Lilly Open Innovation Drug Discovery platform. Three compounds from the University of California, Irvine, 1-3, having the 3-arylhexahydropyrrolo[1,2-c] pyrimidin-1-amine scaffold acted as insulin secretagogues under high, but not low, glucose conditions. Exploration of the structure-activity relationship around the scaffold demonstrated the key role of the guanidine moiety, as well as the importance of two lipophilic regions, and led to the identification of 9h, which stimulated insulin secretion in isolated rat pancreatic islets in a glucose-dependent manner. (C) 2014 The Authors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2014.01.021

文献信息

• Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning
  申请人：Johnson Alan T.

  公开号：US20100286125A1

  公开（公告）日：2010-11-11

  Compounds having the formula wherein the symbols have the meaning described in the specification are hydroxamic acid derivatives of 4-phenyl-4-hydroxy-butyric acid and capable of inhibiting the lethal effects of infection by anthrax bacteria and are useful in the treatment of poisoning by anthrax.

  具有以下式的化合物是4-苯基-4-羟基丁酸的羟肟酸衍生物，能够抑制炭疽细菌感染的致命效应，并且在炭疽中毒的治疗中有用。
• LOOZEN H. J. J., J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 4, 520-521
  作者：LOOZEN H. J. J.

  DOI：——

  日期：——
• PYRIDIN-2-YL ALKYLAMINO SUBSTITUTED HYDROXAMIC ACID AND USES THEREOF
  申请人：HAWAII BIOTECH, INC.

  公开号：US20210371383A1

  公开（公告）日：2021-12-02

  Compounds of formula I are provided: wherein X is NH, or CH 2 , Y is a single bond, or —CHR 5 —, R 1 is H, C 1 -C 4 alkyl, or C 1 -C 4 hydroxyalkyl, R 2 and R 2 ′ are each independently H, C 1 -C 4 alkyl, or C 1 -C 4 hydroxyalkyl, each R 3 is independently H, halo, —CF 3 , C 1 -C 4 alkyl, or C 1 -C 4 alkoxy, C 3 perhaloalkyl, each R 4 is independently H, halo, or C 1 -C 4 alkyl, R 5 is C 1 -C 4 alkoxy, r is integer from 0 to 3; and p is integer from 0 to 3.
• US8119692B2
  申请人：——

  公开号：US8119692B2

  公开（公告）日：2012-02-21
• Constructing Saturated Guanidinum Heterocycles by Cycloaddition of <i>N</i>-Amidinyliminium Ions with Indoles
  作者：Tyler K. Allred、Michael B. Shaghafi、Pan-Pan Chen、Quan Tran、K. N. Houk、Larry E. Overman

  DOI：10.1021/acs.orglett.1c02832

  日期：2021.10.1

  step by regio- and stereoselective [4 + 2]-cycloadditions of N-amidinyliminium ions with indoles or benzothiophene. In contrast to reactions of these heterodienes with alkenes, density functional theory (DFT) calculations show that these cycloadditions take place in a concerted asynchronous fashion. The [4 + 2]-cycloaddition of N-amidinyliminium ions (1,3-diaza-1,3-dienes) with indoles and benzothiophene

  我们报告说，结构复杂的胍杂环可以通过N-脒基亚胺离子与吲哚或苯并噻吩的区域和立体选择性 [4 + 2]-环加成反应一步制备。与这些异二烯与烯烃的反应相反，密度泛函理论 (DFT) 计算表明，这些环加成以协调的异步方式发生。在[4 + 2] -环的Ñ -amidinyliminium离子（1,3-二氮杂-1,3-二烯）与吲哚和苯并噻吩是独特的，作为与[4 + 2]的-cycloadditions N- acyliminium离子（1- oxa-3-aza-1,3-diene）显然是未知的。