Allyl 3,5-dihydroxybenzoate | 223678-03-3

• 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: Allyl 3,5-dihydroxybenzoate
• 英文别名: 3,5-dihydroxy-benzoic acid allyl ester；prop-2-enyl 3,5-dihydroxybenzoate
• CAS: 223678-03-3
• 化学式: C₁₀H₁₀O₄
• 分子量: 194.187
• InChiKey: UIOQCRMYQWBTLO-UHFFFAOYSA-N

物化性质

• 沸点：
  391.5±17.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Allyl 3,5-dihydroxybenzoate 在 palladium phosphine 哌啶 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 3,5-bis(ethoxycarbonylmethoxy)benzoic acid
  参考文献：
  名称：

  Isotope-Coded and Affinity-Tagged Cross-Linking (ICATXL):  An Efficient Strategy to Probe Protein Interaction Surfaces

  摘要：

  Chemical cross-linking followed by identification of the cross-linked residues by mass spectrometry provides structural information on protein interaction surfaces. Nevertheless, accurate analysis of the digested, cross-linked proteins is often challenging. Herein, we describe a novel strategy that relies on the use of affinity-tagged cross-linkers and isotope coding on the cross-linker-modified species. Incorporation of O16 or O18 during the hydrolysis of the cross-linkers results in a characteristic "doublet" for the undesired products of a half-cross-linking reaction. Therefore, genuine cross-linked peptides are readily distinguished for further structural analysis. This strategy permits a sensitive and facile analysis on a dimeric protease inhibitor, ecotin, showing general applicability to other protein assemblies.

  DOI：

  10.1021/ja0614159
• 作为产物：
  描述：

  3,5-二羟基苯甲酸 、 3-溴丙烯 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 Allyl 3,5-dihydroxybenzoate
  参考文献：
  名称：

  Isotope-Coded and Affinity-Tagged Cross-Linking (ICATXL):  An Efficient Strategy to Probe Protein Interaction Surfaces

  摘要：

  Chemical cross-linking followed by identification of the cross-linked residues by mass spectrometry provides structural information on protein interaction surfaces. Nevertheless, accurate analysis of the digested, cross-linked proteins is often challenging. Herein, we describe a novel strategy that relies on the use of affinity-tagged cross-linkers and isotope coding on the cross-linker-modified species. Incorporation of O16 or O18 during the hydrolysis of the cross-linkers results in a characteristic "doublet" for the undesired products of a half-cross-linking reaction. Therefore, genuine cross-linked peptides are readily distinguished for further structural analysis. This strategy permits a sensitive and facile analysis on a dimeric protease inhibitor, ecotin, showing general applicability to other protein assemblies.

  DOI：

  10.1021/ja0614159

文献信息

• Dendronized polyacrylates with glucose units in the periphery
  作者：Andrea Zistler、Sabine Koch、A. Dieter Schlüter

  DOI：10.1039/a808373h

  日期：——

  The synthesis of dendritic building blocks (dendrons) of the first (G-1) and second generation (G-2) with peripheral acetyl-protected glucose moieties is reported. The dendrons can be selectively deprotected at the focal point and the resulting carboxylic acids then attached to an acrylic acid derivative to furnish dendronized G-1 and G-2 macromonomers. Their radically initiated polymerization leads to dendronized polyacrylates with two and four surface glucose units per repeat unit.

  报道了第一代（G-1）和第二代（G-2）树枝状构件（树枝）的合成，外围为乙酰保护的葡萄糖基团。这些树枝可以在焦点处选择性去保护，得到的羧酸随后与丙烯酸衍生物结合，生成树枝状的G-1和G-2大单体。它们的自由基引发聚合反应导致形成每个重复单元具有两个和四个表面葡萄糖单元的树枝状聚丙烯酸酯。
• Guanidine and amidine derivatives as factor Xa inhibitors
  申请人：——

  公开号：US20020173656A1

  公开（公告）日：2002-11-21

  The present invention relates to compounds of the formula I, 1 in which R 0 ; Q; X; Q′, D, R 10 and V have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式I的化合物，其中R0；Q；X；Q′；D；R10和V具有所述权利要求中指示的含义。公式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它们是血凝酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子Xa和/或因子VIIa不良活性的情况，或者用于治疗或预防需要抑制因子Xa和/或因子VIIa的疾病。本发明还涉及公式I化合物的制备方法，它们的使用，特别是作为药物的活性成分，以及包含它们的制药制剂。
• GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1345900A1

  公开（公告）日：2003-09-24
• ALKALINE, POST PLASMA ETCH/ASH RESIDUE REMOVERS AND PHOTORESIST STRIPPING COMPOSITIONS CONTAINING METAL-HALIDE CORROSION INHIBITORS
  申请人：MALLINCKRODT BAKER, Inc.

  公开号：EP1692572A2

  公开（公告）日：2006-08-23
• Alkaline, post plasma etch/ash residue removers and photoresist stripping compositions containing metal-halide corrosion inhibitors
  申请人：Skee C. David

  公开号：US20070060490A1

  公开（公告）日：2007-03-15

  The invention provides alkaline compositions useful in the microelectronics industry for stripping or cleaning semiconductor wafer substrates by removing photoresist residues and other unwanted contaminants. The compositions contain (a) one or more bases and (b) one or more metal corrosion inhibiting metal halides of the formula: W z MX y where M is a metal selected from the group Si, Ge, Sn, Pt, P, B, Au, Ir, Os, Cr, Ti, Zr, Rh, Ru, and Sb; X is a halide selected from F, Cl, Br and I; W is selected from H, to an alkali or alkaline earth metal, and a metal ion-free hydroxide base moiety; y is a numeral of from 4 to 6 depending on the metal halide; and z is a numeral of 1, 2 or 3.