O-allylisovanillyl alcohol | 854954-43-1

• 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: O-allylisovanillyl alcohol
• 英文别名: 3-allyloxy-4-methoxy-benzyl alcohol；3-Allyloxy-4-methoxy-benzylalkohol；(3-allyloxy-4-methoxy-phenyl)-methanol；3-Allyloxy-4-methoxybenzyl Alcohol；(4-methoxy-3-prop-2-enoxyphenyl)methanol
• CAS: 854954-43-1
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: GCFBLKUPILHINH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  O-allylisovanillyl alcohol 在 sodium hydroxide 、 potassium permanganate 、 potassium carbonate 作用下， 生成 3,4-二甲氧酞酸
  参考文献：
  名称：

  Synthetische Versuche in der Morphinreihe

  摘要：

  DOI：

  10.1007/bf00900793
• 作为产物：
  描述：

  3-烯丙氧基-4-甲氧基苯甲醛 在 甲醇 、 sodium tetrahydroborate 作用下， 反应 3.33h， 以98%的产率得到O-allylisovanillyl alcohol
  参考文献：
  名称：

  对映体C 1-环戊四烯与取代基的空间排列相反

  摘要：

  环戊三烯（CTV）是一种呈碗状构象的大环环烷，用作构建色氨酸和半色氨酸胶囊的构件。描述了一种合成新的对映纯CTV衍生物的方法，该衍生物具有空前的取代基空间排列，表现出C 1对称性。绝对构型是通过ECD光谱法和建模分配的。统计模型允许优化C 1 CTV的比例，并且此方法的模块性也得到了强调。

  DOI：

  10.1021/acs.orglett.8b03621

文献信息

• Macrocyclic Compounds Useful as Bace Inhibitors
  申请人：Betschart Claudia

  公开号：US20080132477A1

  公开（公告）日：2008-06-05

  The invention relates to novel macrocyclic compounds of the formula (I), in which all of the variables are as defined in the specification, the number of ring atoms included in the macrocyclic ring being 14, 15, 16 or 17, in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.

  本发明涉及具有公式(I)的新型大环化合物，其中所有变量如说明书中所定义，大环环中包含的环原子数为14、15、16或17，以自由碱形式或酸加成盐形式存在，以及它们的制备方法、作为药物的使用以及包含它们的药物。
• [EN] ISOINDOLIN-1-ONE DERIVATIVES<br/>[FR] DÉRIVÉS D'ISOINDOLIN-1-ONE
  申请人：CANCER REC TECH LTD

  公开号：WO2006024837A1

  公开（公告）日：2006-03-09

  A compound of formula (1) or a prodrug and/or pharmaceutically acceptable salt thereof, wherein X is selected from O, N or S; R1 is selected from hydrogen, halo, hydroxy, substituted or unsubstituted alkyl, substituted or unsubstituted hydroxyalkyl, substituted or unsubstituted alkylamine, alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroaralkyl; R2 is selected from hydrogen, halo, hydroxy, substituted or unsubstituted alkyl, substituted or unsubstituted hydroxyalkyl substituted or unsubstituted alkylamine, alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroalkyl; R3 is selected from hydrogen, halo, hydroxy, substituted or unsubstituted alloy substituted or unsubstituted hydroxyalkyl, substituted or unsubstituted alkylamine alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroalkyl; and R4-R7, is used to represent groups R4, R5, R6 and R7 which are independently selected from H, OH, alkyl, alkoxy, alkylamine, hydroxyalkyl, halo, CF3, NH2, NO2, COOH, C=0.

  式（1）的化合物或其前药和/或药用可接受的盐，其中X选择自O、N或S；R1选择自氢、卤素、羟基、取代或未取代的烷基、取代或未取代的羟基烷基、取代或未取代的烷基胺、烷氧基、取代或未取代的芳基或杂环芳基、取代或未取代的芳基或杂环芳基；R2选择自氢、卤素、羟基、取代或未取代的烷基、取代或未取代的羟基烷基、取代或未取代的烷基胺、烷氧基、取代或未取代的芳基或杂环芳基、取代或未取代的芳基或杂环芳基；R3选择自氢、卤素、羟基、取代或未取代的合金取代或未取代的羟基烷基、取代或未取代的烷基胺烷氧基、取代或未取代的芳基或杂环芳基、取代或未取代的芳基或杂环芳基；R4-R7，用于表示独立选择自H、OH、烷基、烷氧基、烷基胺、羟基烷基、卤素、CF3、NH2、NO2、COOH、C=0的基团R4、R5、R6和R7。
• Isoindolin-1-One Derivatives
  申请人：Willems Hendrika Maria Gerarda

  公开号：US20080261917A1

  公开（公告）日：2008-10-23

  A compound of formula or a prodrug and/or a pharmaceutically acceptable salt thereof, wherein X is O, N or S; R 1 is hydrogen, halo, hydroxy, substituted or unsubstituted alkyl, substituted or unsubstituted hydroxyalkyl, substituted or unsubstituted alkylamine, alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroaralkyl; R 2 is hydrogen, halo, hydroxy, substituted or unsubstituted alkyl, substituted or unsubstituted hydroxyalkyl substituted or unsubstituted alkylamine, alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroalkyl; R 3 is hydrogen, halo, hydroxy, substituted or unsubstituted alloy substituted or unsubstituted hydroxyalkyl, substituted or unsubstituted alkylamine alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroalkyl; and R 4 -R 7 , is used to represent groups R 4 , R 5 , R 6 and R 7 which are H, OH, alkyl, alkoxy, alkylamine, hydroxyalkyl, halo, CF 3 , NH 2 , NO 2 , COOH, C=0.

  该化合物的化学式为，或其前体药物和/或其药学上可接受的盐，其中X为O、N或S；R1为氢、卤、羟基、取代或未取代的烷基、取代或未取代的羟基烷基、取代或未取代的烷基胺、烷氧基、取代或未取代的芳基或杂环芳基、取代或未取代的芳基烷基或杂环芳基烷基；R2为氢、卤、羟基、取代或未取代的烷基、取代或未取代的羟基烷基、取代或未取代的烷基胺、烷氧基、取代或未取代的芳基或杂环芳基、取代或未取代的芳基烷基或杂环芳基烷基；R3为氢、卤、羟基、取代或未取代的烷基、取代或未取代的羟基烷基、取代或未取代的烷基胺、烷氧基、取代或未取代的芳基或杂环芳基、取代或未取代的芳基烷基或杂环芳基烷基；R4-R7用于代表R4、R5、R6和R7的基团，其为H、OH、烷基、烷氧基、烷基胺、羟基烷基、卤、CF3、NH2、NO2、COOH、C=0。
• Isoindolin-1-one derivatives
  申请人：Cancer Research Technology Limited

  公开号：US08258175B2

  公开（公告）日：2012-09-04

  A compound of formula or a prodrug and/or a pharmaceutically acceptable salt thereof, wherein X is O, N or S; R1 is hydrogen, halo, hydroxy, substituted or unsubstituted alkyl, substituted or unsubstituted hydroxyalkyl, substituted or unsubstituted alkylamine, alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroaralkyl; R2 is hydrogen, halo, hydroxy, substituted or unsubstituted alkyl, substituted or unsubstituted hydroxyalkyl substituted or unsubstituted alkylamine, alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroalkyl; R3 is hydrogen, halo, hydroxy, substituted or unsubstituted alloy substituted or unsubstituted hydroxyalkyl, substituted or unsubstituted alkylamine alkoxy, substituted or unsubstituted aryl or heteroaryl, and substituted or unsubstituted aralkyl or heteroalkyl; and R4-R7, is used to represent groups R4, R5, R6 and R7 which are H, OH, alkyl, alkoxy, alkylamine, hydroxyalkyl, halo, CF3, NH2, NO2, COOH, C═O.

  化合物的化学式为，或其前体和/或其药学上可接受的盐，其中X为O，N或S; R1为氢，卤素，羟基，取代或未取代的烷基，取代或未取代的羟基烷基，取代或未取代的烷基胺，烷氧基，取代或未取代的芳基或杂环芳基，以及取代或未取代的芳基烷基或杂环芳基烷基; R2为氢，卤素，羟基，取代或未取代的烷基，取代或未取代的羟基烷基，取代或未取代的烷基胺，烷氧基，取代或未取代的芳基或杂环芳基，以及取代或未取代的芳基烷基或杂环芳基烷基; R3为氢，卤素，羟基，取代或未取代的烷基，取代或未取代的羟基烷基，取代或未取代的烷基胺，烷氧基，取代或未取代的芳基或杂环芳基，以及取代或未取代的芳基烷基或杂环芳基烷基; R4-R7用于表示R4，R5，R6和R7，它们可以是H，OH，烷基，烷氧基，烷基胺，羟基烷基，卤素，CF3，NH2，NO2，COOH，C═O。
• Antimitotic and cell growth inhibitory properties of combretastatin A-4-like ethers
  作者：Nicholas J. Lawrence、David Rennison、Meiki Woo、Alan T. McGown、John A. Hadfield

  DOI：10.1016/s0960-894x(00)00596-5

  日期：2001.1

  A series of diarylamines, diaryl and arylbenzyl ethers based on combretastatin A-4 was prepared and evaluated for anticancer activity. 2-Methoxy-5-(3',4',5'-trimethoxyphenoxymethyl)phenol was the most active (IC50, K562 20nM) and caused significant G2/M cell cycle arrest. (C) 2000 Elsevier Science Ltd. All rights reserved.