4-formylphenoxyallylacetate | 226250-40-4

• 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: 4-formylphenoxyallylacetate
• 英文别名: Prop-2-enyl 2-(4-formylphenoxy)acetate
• CAS: 226250-40-4
• 化学式: C₁₂H₁₂O₄
• 分子量: 220.225
• InChiKey: PXCBEZLZLKWQML-UHFFFAOYSA-N

物化性质

• 沸点：
  349.0±22.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-formylphenoxyallylacetate 在 吡啶 、 4-二甲氨基吡啶 、 sodium cyanoborohydride 、 三乙胺 作用下， 以 四氢呋喃 、 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 、 对羟基苯甲醛 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 以95%的产率得到4-formylphenoxyallylacetate
  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

文献信息

• WO2006/86562
  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.
• Phenylazetidinone Derivatives
  申请人：Zimmer Daniel P.

  公开号：US20090005321A1

  公开（公告）日：2009-01-01

  Various azetidinone derivatives are described, as are pharmaceutical compositions containing these compounds and methods of treatment of diseases using these compounds. Other embodiments are also described.
• Optimising inhibitors of Trypanothione reductase using solid-phase chemistry
  作者：Bordin Chitkul、Mark Bradley

  DOI：10.1016/s0960-894x(00)00471-6

  日期：2000.10

  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.