4-nitrophenyloxycarbonyl-4'-hydroxymethylphenoxy ethylacetate | 177897-07-3

• 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-nitrophenyloxycarbonyl-4'-hydroxymethylphenoxy ethylacetate
• 英文别名: Ethyl 2-[4-[(4-nitrophenoxy)carbonyloxymethyl]phenoxy]acetate；ethyl 2-[4-[(4-nitrophenoxy)carbonyloxymethyl]phenoxy]acetate
• CAS: 177897-07-3
• 化学式: C₁₈H₁₇NO₈
• 分子量: 375.335
• InChiKey: GMHONLIGOYXFPG-UHFFFAOYSA-N

物化性质

• 沸点：
  533.2±50.0 °C(Predicted)
• 密度：
  1.326±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-nitrophenyloxycarbonyl-4'-hydroxymethylphenoxy ethylacetate 在 sodium hydroxide 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-[[4-Aminobutyl(3-aminopropyl)carbamoyl]oxymethyl]phenoxy]acetic acid
  参考文献：
  名称：

  Solid phase polyamine linkers-their utility in synthesis and the preparation of directed libraries against trypanothione reductase

  摘要：

  各种二保护多胺被锚定在固体支持物上，并用于固相化学和生成库。

  DOI：

  10.1039/cc9960000941
• 作为产物：
  描述：

  对硝基苯基氯甲酸酯 、 2-(4-(羟基甲基)苯氧基)乙酸乙酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 4-nitrophenyloxycarbonyl-4'-hydroxymethylphenoxy ethylacetate
  参考文献：
  名称：

  Solid phase polyamine linkers-their utility in synthesis and the preparation of directed libraries against trypanothione reductase

  摘要：

  各种二保护多胺被锚定在固体支持物上，并用于固相化学和生成库。

  DOI：

  10.1039/cc9960000941

文献信息

• A linker for amidines in solid phase synthesis
  作者：Patrick Roussel、Mark Bradley、Ian Matthews、Peter Kane

  DOI：10.1016/s0040-4039(97)01013-7

  日期：1997.7

  A range of linkers for the important amidine pharmacophore, cleavable using acid or light have been developed for use in library synthesis. The utility of these linkers is demonstrated by the solid phase synthesis of the Novartis (ex-Ciba) phase II compound CGS-25019C.

  已经开发了重要的am药药基团的一系列连接基，可使用酸或光将其裂解以用于文库合成。诺华（Ciba前）II期化合物CGS-25019C的固相合成证明了这些接头的效用。
• Inhibition of the tissue factor/factor VIIa complex — Lead optimisation using combinatorial chemistry
  作者：Patrick Roussel、Mark Bradley、Peter Kane、Christine Bailey、Ruth Arnold、Andrew Cross

  DOI：10.1016/s0040-4020(99)00266-5

  日期：1999.5

  Following a high throughput screen (HTS) for the inhibition of the tissue factor/factor VIIa complex and the identification of a number of original hits a lead optimisation programme was initiated to improve their potency. This necessitated the development of an amidine based linker which allowed the generation of a library of amidinonaphthols prepared both by multiple parallel synthesis (MPS) and split and mix methods. The most active compound had an IC50 of 4 mu M some 10x more potent than the original lead compound, (C) 1999 Elsevier Science Ltd. All rights reserved.
• The synthesis of symmetrical spermine conjugates using solid-phase chemistry
  作者：Patrick Page、Sarah Burrage、Lorraine Baldock、Mark Bradley

  DOI：10.1016/s0960-894x(98)00303-5

  日期：1998.7

  The utility of spermine, selectively functionalised and immobilised on a solid support by means of the Wang "oxycarbonyl" linker is demonstrated by the solid-phase synthesis of a number of spermine conjugates including the natural product and potent antihypertensive agent kukoamine. The synthesis opens up the area of solid-phase spermine chemistry and library generation based on the symmetrical spermine scaffold. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Solid phase synthesis of polyamine conjugates for the study of trypanothione reductase
  作者：Ian R. Marsh、Mark Bradley

  DOI：10.1016/s0040-4020(97)10156-9

  日期：1997.12

  A number of polyamine scaffolds were synthesised, enabling the facile preparation of a variety of polyamine conjugates using both Boc and Fmoc protecting group strategies. Products were released from the solid support by treatment with either triflic acid/trifluoroacetic acid or trifluoroacetic acid. The trypanosomal metabolite N-1, N-8-bis(glutathionyl)spermidine [trypanothione], and a range of related analogues were prepared for biological evaluation as previously communicated. (C) 1997 Elsevier Science Ltd.
• Solid phase polyamine linkers-their utility in synthesis and the preparation of directed libraries against trypanothione reductase
  作者：Ian R. Marsh、Helen Smith、Mark Bradley

  DOI：10.1039/cc9960000941

  日期：——

  A variety of diprotected polymines are anchored to a solid support and used in solid phase chemistry and library generation.

  各种二保护多胺被锚定在固体支持物上，并用于固相化学和生成库。