2-formylphenoxyacetic acid tert-butyl ester | 286437-63-6

• 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: 2-formylphenoxyacetic acid tert-butyl ester
• 英文别名: tert-butyl 2-(2-formylphenoxy)acetate；2-t-butoxycarbonylmethoxybenzaldehyde
• CAS: 286437-63-6
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: OJIOWDKYDMEBRD-UHFFFAOYSA-N

物化性质

• 沸点：
  338.2±17.0 °C(Predicted)
• 密度：
  1.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  2-formylphenoxyacetic acid tert-butyl ester 在 sodium tetrahydroborate 、 四溴化碳 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 7.0h， 生成 Tert-butyl 2-[2-(bromomethyl)phenoxy]acetate
  参考文献：
  名称：

  Use of libraries to access new chemical space: Applications to CRTH2

  摘要：

  The generation of novel CRTH2 ligands in heavily congested chemical space, by de novo design of libraries is disclosed. Novel (1719) compounds across seven libraries were synthesised. More than 100 of these compounds showed binding potency <3 mu M against CRTH2, with the most potent being 247 nM. These libraries produced novel series and demonstrated that this approach is a viable one. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.041
• 作为产物：
  描述：

  氯乙酸叔丁酯 、 水杨醛 在 potassium carbonate 作用下， 以 N-甲基乙酰胺 、 正庚烷 为溶剂， 以98.5%的产率得到2-formylphenoxyacetic acid tert-butyl ester
  参考文献：
  名称：

  Partially protected novel trisphenols and process for production thereof

  摘要：

  该发明提供了一种具有通式（I）的部分保护三酚，其中R1是1-4碳原子的烷基基团或1-4碳原子的烷氧基基团，R2是1-6碳原子的烷基基团或5或6碳原子的环烷基基团，X1是氢原子，碳原子1-4的烷氧羰甲基基团，碳原子1-4的烷氧羰基团或四氢吡喃基团，X2是氢原子，碳原子1-4的烷氧羰甲基基团，碳原子1-4的烷氧羰基团或四氢吡喃基团，但当X1为氢原子时，X2不是氢原子，当X2为氢原子时，X1不是氢原子；m是0、1或2的整数，n是0、1、2或3的整数。

  公开号：

  US06603029B1

文献信息

• Synthesis and Evaluation of Pyrrolin-2-one Compounds, a Series of Plasminogen Activator Inhibitor-1 Inhibitors
  作者：Hiroshi Miyazaki、Tsuyoshi Ogiku、Hiroshi Sai、Yasunori Moritani、Akio Ohtani、Hiroshi Ohmizu

  DOI：10.1248/cpb.57.979

  日期：——

  A novel series of furan-2-one and pyrrolin-2-one derivatives having PAI-1 (plasminogen activator inhibitor-1) inhibitory activity were synthesized and evaluated for their antithrombotic activity in a rat arterial thrombosis model. Among the synthesized compounds, 5f (T-1776Na) was found to have good selectivity for PAI-1 over other enzymes and high antithrombotic activity.

  研究人员合成了一系列具有 PAI-1（纤溶酶原激活物抑制剂-1）抑制活性的新型呋喃-2-酮和吡咯啉-2-酮衍生物，并在大鼠动脉血栓模型中评估了它们的抗血栓活性。结果发现，在合成的化合物中，5f（T-1776Na）对 PAI-1 具有良好的选择性，而对其他酶则没有选择性，并且具有很高的抗血栓活性。
• Microenvironment Engineering in ortho- and para-Dendronized Metalloporphyrin-Fullerene Conjugates Involving a trans-2-Bisaddition Pattern
  作者：Michaela Ruppert、Walter Bauer、Andreas Hirsch

  DOI：10.1002/chem.201100270

  日期：2011.7.25

  A new series of dendronized metalloporphyrin–fullerene conjugates as photosynthetic reaction center mimics was developed in a highly regioselective fashion through tether‐controlled synthesis. The microenvironment around the porphyrin core is dependent on the spatial substitution pattern and the nature and generation number of the dendrons, which was proven by cyclic voltammetry.

  通过束缚控制合成，以高度区域选择性的方式开发了一系列新的树突化金属卟啉-富勒烯共轭物，作为光合作用反应中心模拟物。卟啉核周围的微环境取决于空间取代模式以及树枝状分子的性质和生成数，这已通过循环伏安法证明。
• Radiation‐responsive benzothiazolines as potential cleavable fluorogenic linkers for drug delivery
  作者：Wei Tuo、Jean-Philippe Renault、Serge Pin、Thierry Le Gall、Frédéric Taran、Aashini Rajpal

  DOI：10.1002/chem.202300358

  日期：——

  Benzothiazolines in aqueous solutions are cleaved under irradiation with γ-rays in a dose-dependent manner, leading to the formation of fluorescent products. The study paves the way for the future use of benzothiazolines as radiation sensors or as prodrugs in the context of radiotherapy.

  水溶液中的苯并噻唑啉在γ射线照射下以剂量依赖性方式裂解，导致荧光产物的形成。该研究为未来将苯并噻唑啉用作辐射传感器或在放射治疗中用作前药铺平了道路。
• US6603029B1
  申请人：——

  公开号：US6603029B1

  公开（公告）日：2003-08-05
• Partially protected novel trisphenols and process for production thereof
  申请人：Honshu Chemical Industry Co., Ltd.

  公开号：US06603029B1

  公开（公告）日：2003-08-05

  The invention provides a partially protected trisphenol having the general formula (I) wherein R1 is an alkyl group of 1-4 carbons or an alkoxyl group of 1-4 carbons, R2 is an alkyl group of 1-6 carbons or a cycloalkyl group of 5 or 6 carbons, X1 is a hydrogen atom, an alkoxycarbonylmethyl group wherein the alkyl group has 1-4 carbons, an alkoxycarbonyl group wherein the alkyl group has 1-4 carbons or a tetrahydropyranyl group, X2 is a hydrogen atom, an alkoxycarbonylmethyl group wherein the alkyl group has 1-4 carbons, an alkoxycarbonyl group wherein the alkyl group has 1-4 carbons or a tetrahydropyranyl group, provided that when X1 is a hydrogen atom, X2 is not a hydrogen atom, and when X2 is a hydrogen atom, X1 is not a hydrogen atom; and m is an integer of 0, 1 or 2, and n is an integer of 0, 1, 2 or 3.

  该发明提供了一种具有通式（I）的部分保护三酚，其中R1是1-4碳原子的烷基基团或1-4碳原子的烷氧基基团，R2是1-6碳原子的烷基基团或5或6碳原子的环烷基基团，X1是氢原子，碳原子1-4的烷氧羰甲基基团，碳原子1-4的烷氧羰基团或四氢吡喃基团，X2是氢原子，碳原子1-4的烷氧羰甲基基团，碳原子1-4的烷氧羰基团或四氢吡喃基团，但当X1为氢原子时，X2不是氢原子，当X2为氢原子时，X1不是氢原子；m是0、1或2的整数，n是0、1、2或3的整数。