3-[(allyloxy)carbonyl]benzoic acid | 46425-21-2

• 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: 3-[(allyloxy)carbonyl]benzoic acid
• 英文别名: isophthalic acid monoallyl ester；3-prop-2-enoxycarbonylbenzoic acid
• CAS: 46425-21-2
• 化学式: C₁₁H₁₀O₄
• 分子量: 206.198
• InChiKey: NWHOAXHJVDBUCD-UHFFFAOYSA-N

物化性质

• 沸点：
  375.9±25.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[(allyloxy)carbonyl]benzoic acid 、 tert-butyl (4S,5S,7R)-7-[(allyloxy)carbonyl]-5-hydroxy-2-methyloctan-4-ylcarbamate 、 异丁胺 生成 N-((1S,2S,4R)-2-Hydroxy-1-isobutyl-4-isobutylcarbamoyl-pentyl)-N'-isobutyl-isophthalamide
  参考文献：
  名称：

  Design, synthesis, and evaluation of Leu∗Ala hydroxyethylene-based non-peptide β-secretase (BACE) inhibitors

  摘要：

  With the aim of developing small molecular non-peptide P-secretase (BACE) inhibitors, Leu*Ala hydroxyethylene (HE) was investigated as a scaffold to design and synthesize a series of compounds. Taking advantage of efficient combinatorial synthesis approaches and molecular modeling, extensive structure-activity relationship (SAR) studies were carried out on the N- and C-terminal residues of the Leu*Ala HE scaffold. Isobutyl amine was found to be an optimal C-cap, and suitable hydroxylalkylamines at the 3-position and nitro or methyl(methylsulfonyl)amine at the 5-position of isophthalamide as the N-terminus could form additional hydrogen bonds with BACE active sites and help improve potency. Many new potent non-peptide BACE inhibitors were identified in this study. Among them, compounds 37 and 44 exhibited excellent enzyme-inhibiting potency, comparable to that of OM99-2, and obvious inhibitory effects in cell-based assay with low molecular weights (< 600). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.02.024
• 作为产物：
  描述：

  2-(3-Chlorocarbonyl-phenyl)-oxazole-4-carboxylic acid methyl ester 、 间苯二甲酸 、 四甲基胍 、 3-溴丙烯 在 盐酸 、 Brine 、 oil 、 二甲基亚砜 、 单水氢氧化锂 、 水 、 乙酸乙酯 、 碳酸氢钠 作用下， 以 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 9.0h， 以to give isophthalic acid monoallyl ester (23.1 g) as white crystals的产率得到3-[(allyloxy)carbonyl]benzoic acid
  参考文献：
  名称：

  Dihydro-benzo [b] [1,4] diazepin-2-one derivatives

  摘要：

  这项发明是一种公式1中R1、R2、R3和Y如规范中定义的二氢苯并[b][1,4]二氮杂吡啶-2-酮衍生物。该发明包括含有这些化合物的药物组合物，制备这些化合物的方法以及通过给予公式I的化合物或其药学上可接受的盐的有效量来治疗或预防急性和/或慢性神经系统疾病的方法。

  公开号：

  US20020198197A1

文献信息

• Method for separating substances
  申请人：Hiratsuka Atsunori

  公开号：US20060113189A1

  公开（公告）日：2006-06-01

  An objective of the present invention is to provide electrophoretic separation methods and devices that enable the various features of a substrate surface that comes in contact with an electrophoresis medium to be controlled. The present invention provides methods for electrophoresing substances, which comprises the steps of: (a) adding a substance to be analyzed to an electrophoresis medium retained in a substrate, whose surface that has come in contact with the electrophoresis medium has been coated with a polymer membrane; and (b) adding electrophoretic pressure to the electrophoresis medium. For example, the use of a plasma-polymerized membrane allows the formation of a membrane with homogeneous quality and thickness on the surface of an arbitrary shape. In addition, desired characteristics can be conferred on the surface through selection of monomeric substances. Protein adsorption onto micro-chips can be effectively prevented as well.

  本发明的一个目标是提供电泳分离方法和设备，使接触电泳介质的基板表面的各种特征可以被控制。本发明提供了一种电泳物质的方法，包括以下步骤：(a)将待分析的物质添加到保留在基板中的电泳介质中，该基板的表面与电泳介质接触，已被涂覆聚合物膜；和(b)向电泳介质施加电泳压力。例如，使用等离子体聚合膜可以在任意形状的表面上形成具有均匀质量和厚度的膜。此外，通过选择单体物质，可以赋予表面所需的特性。蛋白质吸附到微芯片上也可以被有效地防止。
• [EN] RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER<br/>[FR] COMPOSE POLYMERISABLE PAR VOIE RADICALAIRE, CONTENANT DU SOUFRE, ET POLYMERE POLYMERISABLE PAR VOIE RADICALAIRE, CONTENANT DU SOUFRE
  申请人：SHOWA DENKO KK

  公开号：WO2006033438A1

  公开（公告）日：2006-03-30

  The invention relates to a radically polymerizable sulfur-containing compound having a group represented by formula (1) and at least one selected from among groups represented by formulae (2) to (4) , a radically polymerizable sulfur-containing polymer obtained by subjecting the compound to cationic ring-opening (co)polymerization, production process thereof, a composition containing the sulfur-containing compound and/or the sulfur-containing polymer, and a cured product obtained from the composition……………. (1)(2) (3) (4)………….( R1 to R6 each independently represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms.) The cured product obtained from the radically polymerizable sulfur-containing compound and the radically polymerizable sulfur-containing polymer having a high refractive index is useful as an optical material, especially for lens material.

  该发明涉及一种具有由式（1）表示的基团和至少从式（2）到（4）中选择的基团中的一种的可进行根本聚合的含硫化合物，通过对该化合物进行阳离子环开（共）聚合获得的可进行根本聚合的含硫聚合物，其生产工艺，含有该含硫化合物和/或该含硫聚合物的组合物，以及从该组合物获得的固化产品…………（1）（2）（3）（4）…………（R1至R6分别表示氢原子或具有1至4个碳原子的烷基基团）。从具有高折射率的可进行根本聚合的含硫化合物和可进行根本聚合的含硫聚合物获得的固化产品可用作光学材料，特别是用于镜片材料。
• Acid dyeable polymer compositions
  申请人：——

  公开号：US20030083441A1

  公开（公告）日：2003-05-01

  An acid-dyeable polymer composition comprising (a) polymer and (b) polymeric additive comprising repeating units having the formula: 1 or salts thereof, wherein A, B and Q, which may be the same or different, are selected from aliphatic or aromatic substituents provided that at least four carbon atoms separate any two nitrogen groups, R is an aliphatic or aromatic group, a is 1 to 5, and n is 3 to about 1,000. In addition, an acid-dyed composition prepared from the composition, a process of acid dyeing the composition and a process for preparing the composition.

  一种酸性染料可染聚合物组合物，包括(a)聚合物和(b)聚合物添加剂，其包含有以下式子的重复单元或其盐：1其中A、B和Q，可以相同也可以不同，选自脂肪族或芳香族取代基，但任何两个氮基之间至少有四个碳原子，R是脂肪族或芳香族基团，a为1至5，n为3至约1,000。此外，还包括从该组合物制备的酸性染料组合物，以及该组合物的酸染过程和制备该组合物的过程。
• Dihydro-benzo &lsqb;B&rsqb; &lsqb;1,4&rsqb; diazepin-2-one derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US06548495B2

  公开（公告）日：2003-04-15

  This invention is a dihydro-benzo[b][1,4]diazepin-2-one derivative of the formula wherein R1, R2, R3 and Y are as defined in the specification. The invention includes pharmaceutical compositions containing these compounds, a process for their preparation and a method of treatment or prevention of acute and/or chronic neurological disorders by administering an effective amount of the compound of formula I or a pharmaceuticall acceptable salt thereof.

  这项发明涉及一种二氢苯并[b][1,4]二氮杂烷-2-酮衍生物，其化学式中的R1、R2、R3和Y如规范中所定义。该发明包括含有这些化合物的药物组合物、其制备方法以及通过给予公式I化合物或其药学上可接受的盐的有效量来治疗或预防急性和/或慢性神经系统疾病的方法。
• Controlled release coating comprising blend of silicone and adhesion promoter
  申请人：Mitsubishi Polyester Film LLC (formely Hoechst Diafoil Co.)

  公开号：EP0920986A1

  公开（公告）日：1999-06-09

  A reclaimable release coating composition is provided which includes a blend of an adhesion promoter and a silicone release agent which may be applied from an aqueous solution, dispersion or emulsion. The components form regions of adhesion promoting sites disrupted by regions of release sites on the surface of a release backing substrate coated with the composition. The different regions are substantially homogeneously distributed across the entirety of the release surface. When used as a release coating for a backing to protect an adhesive, a controlled release force of a predictable value may be obtained by providing a known weight ratio of adhesion promoter to silicone release agent in the coating composition. A substantially linear relationship is also provided between the release force required to peel a non-silicone adhesive from the release coating surface, and the weight ratio of vinyl-functional polyorganosiloxane oil to hydrogen-functional siloxane crosslinker in the release agent, such that a consistent, uniform and repeatable release force from the surface may be obtained.

  本发明提供了一种可回收的脱模涂层组合物，该组合物包括附着力促进剂和硅氧烷脱模剂的混合物，可从水溶液、分散体或乳液中使用。在涂有该组合物的脱模衬底表面上，这些成分形成了被脱模点区域破坏的粘附促进点区域。不同的区域基本上均匀地分布在整个脱模表面上。当用作保护粘合剂的离型涂层时，通过在涂层组合物中提供已知重量比的附着力促进剂和硅氧烷离型剂，可获得可预测值的受控离型力。从脱模涂层表面剥离非硅酮粘合剂所需的脱模力与脱模剂中乙烯基官能团聚有机硅氧烷油与氢官能团硅氧烷交联剂的重量比之间也存在基本线性关系，因此可以从表面获得一致、均匀和可重复的脱模力。