allyl (4-hydroxymethyl)phenoxyacetate | 155505-55-8

• 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: allyl (4-hydroxymethyl)phenoxyacetate
• 英文别名: 4-hydroxymethylphenoxyallylacetate；4-(hydroxymethyl)phenoxy acetic acid allyl ester；allyl 2-(4-hydroxymethylphenoxy)acetate；Prop-2-en-1-yl [4-(hydroxymethyl)phenoxy]acetate；prop-2-enyl 2-[4-(hydroxymethyl)phenoxy]acetate
• CAS: 155505-55-8
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: BTFBEEMJOUNORG-UHFFFAOYSA-N

物化性质

• 沸点：
  360.6±27.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  allyl (4-hydroxymethyl)phenoxyacetate 在 吡啶 、 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [4-({[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-carbamoyloxy}-methyl)-phenoxy]-acetic acid allyl ester
  参考文献：
  名称：

  Optimising inhibitors of Trypanothione reductase using solid-phase chemistry

  摘要：

  A series of inhibitors of the enzyme trypanothione reductase has been identified using directed solid-phase chemistry. The compounds were based on a series of polyamine scaffolds and used the natural product kukoamine A as the lead structure. A compound with a K-i of 76 nM was identified, although somewhat surprisingly the compound appeared to be noncompetitive in nature. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00471-6
• 作为产物：
  描述：

  氯乙酸丙烯酯 在 盐酸 、 sodium cyanoborohydride 、 potassium carbonate 、 溴酚蓝 、 potassium iodide 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 2.5h， 生成 allyl (4-hydroxymethyl)phenoxyacetate
  参考文献：
  名称：

  Internal resin capture — A self purification method for the synthesis of C-terminally modified peptides

  摘要：

  A synthetic strategy which allows for the general modification of peptides at the C-terminus has long been the goal of the synthetic chemist. We report here the full synthetic details of our inversion and modification methodology demonstrating the method with the synthesis of peptide amides, alcohols, nitriles and a range of other modified peptides. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00146-5

文献信息

• Solid-phase synthesis of 2,3-diphenylpropionic acid library as VLA-4 antagonists
  作者：Yoichiro Hoshina、Satoru Ikegami、Kyoko Fujimoto、Akihiko Okuyama、Tatsuhiro Harada、Susan James、Peter G. Griffiths、Zemin Wu、Michael Lilly、Andrew M. Bray

  DOI：10.1016/j.tetlet.2005.10.087

  日期：2005.12

  2,3-Diphenylpropionic acid library for VLA-4 antagonist was synthesized on solid-phase. Comparison of the two synthetic routes via an orthogonal generation of two aromatic amino functional groups are discussed. From this work, several compounds were identified as potent VLA-4 antagonists.

  固相合成了VLA-4拮抗剂的2,3-二苯基丙酸文库。讨论了通过两个芳族氨基官能团的正交生成对两种合成路线的比较。通过这项工作，几种化合物被鉴定为有效的VLA-4拮抗剂。
• 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage
  申请人：——

  公开号：US20040072878A1

  公开（公告）日：2004-04-15

  A 2,3-diphenylpropionic acid derivatives or the salts represented by general formula (1) below; and pharmaceutical compositions and cell adhesion inhibitors comprising the derivatives or the salts as the active ingredient. In the formula, A, B and C independently represents a hydrogen atom or a monovalent substituent; and X and X′ independently represents a hydrogen atom or a monovalent substituent. 1

  以下是通式（1）所表示的2,3-二苯丙酸衍生物或其盐；以及以该衍生物或盐作为活性成分的药物组合物和细胞黏附抑制剂。在该式中，A、B和C分别表示氢原子或一价取代基；X和X'分别表示氢原子或一价取代基。
• 2,3-DIPHENYLPROPIONIC ACID DERIVATIVES OR THEIR SALTS, MEDICINES OR CELL ADHESION INHIBITORS CONTAINING THE SAME, AND THEIR USAGE
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：EP1325903A1

  公开（公告）日：2003-07-09

  A 2,3-diphenylpropionic acid derivatives or the salts represented by general formula (1) below; and pharmaceutical compositions and cell adhesion inhibitors comprising the derivatives or the salts as the active ingredient. In the formula, A, B and C independently represents a hydrogen atom or a monovalent substituent; and X and X' independently represents a hydrogen atom or a monovalent substituent.

  2,3-二苯基丙酸衍生物或以下通式(1)所代表的盐；以及包含这些衍生物或盐作为活性成分的药物组合物和细胞粘附抑制剂。式中，A、B 和 C 分别代表氢原子或一价取代基；X 和 X'分别代表氢原子或一价取代基。
• EP1325903
  申请人：——

  公开号：——

  公开（公告）日：——
• Internal resin capture — A self purification method for the synthesis of C-terminally modified peptides
  作者：Michael Davies、Mark Bradley

  DOI：10.1016/s0040-4020(99)00146-5

  日期：1999.4

  A synthetic strategy which allows for the general modification of peptides at the C-terminus has long been the goal of the synthetic chemist. We report here the full synthetic details of our inversion and modification methodology demonstrating the method with the synthesis of peptide amides, alcohols, nitriles and a range of other modified peptides. (C) 1999 Elsevier Science Ltd. All rights reserved.