allyl 3-allyloxybenzoate | 26505-19-1

• 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-allyloxybenzoate
• 英文别名: allyl m-allyloxybenzoate；3-(2-propenyloxy)benzoic acid, 2-propenyl ester；3-(2-propenyloxy)benzoic acid,2-propenyl ester；prop-2-enyl 3-prop-2-enoxybenzoate
• CAS: 26505-19-1
• 化学式: C₁₃H₁₄O₃
• 分子量: 218.252
• InChiKey: MXIKZMWDANUFNK-UHFFFAOYSA-N

物化性质

• 沸点：
  318.2±22.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  allyl 3-allyloxybenzoate 在 四(三苯基膦)钯 苯胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以99%的产率得到间羟基苯甲酸
  参考文献：
  名称：

  Facile and Selective Deallylation of Allyl Ethers Using Diphosphinidenecyclobutene-Coordinated Palladium Catalysts

  摘要：

  (pi-Allyl)palladium triflate bearing a 1,2-bis(4-methoxyphenyl)-3,4-bis(2,4,6-tri-tert-butylphenylphosphinidene)cyclobutene ligand (DPCB-OMe), [Pd(eta(3)-C3H5)(DPCB-OMe)]OTf, efficiently catalyzes deallylation of a variety of allyl ethers in aniline to give corresponding alcohols in high yields under mild conditions. The reactions can be performed in air without loss of a variety of functionalities including vinyl, alkynyl, hydroxy, acetoxy, silyloxy, and acetal groups. Allyl 2-allyloxybenzoate selectively undergoes deallylation of the allyloxy group to give allyl salicylate in quantitative yield.

  DOI：

  10.1021/jo049732q
• 作为产物：
  描述：

  间羟基苯甲酸 、 3-溴丙烯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.05h， 以77%的产率得到allyl 3-allyloxybenzoate
  参考文献：
  名称：

  硫醇-弹性体衍生自具有多种功能的生物基酚酸

  摘要：

  探索了基于植物酚酸的硫醇烯弹性体的合成和物理性能。使官能度不同的酚酸（每个分子具有2至4个羟基和羧基）和官能团的相对位置（邻位，间位，对位）烯丙基化，然后使用光引发剂与多官能硫醇反应。表征了所得弹性体的热和机械行为。衍生自双官能烯丙基化酚酸的网络显示出窄的玻璃化转变温度（表明高度的网络均匀性）和与它们的交联密度相关的玻璃化转变温度（T g）。该段烯丙基在烯丙基化酚酸上的位置产生了具有最高交联密度，T g，模量，拉伸强度和断裂伸长率的网络（其次是邻位，然后是间位）。随着烯丙基化单体的官能度增加（每个分子增加至3-4个烯丙基），交联密度仍然很高，而T g减少，归因于整个网络结构中较低的苯环浓度（因为所有网络均以烯丙基和硫醇官能团的化学计量比制备）。衍生自较高官能度的烯丙基酚酸的网络还表现出较低的断裂伸长率和相关的拉伸强度和拉伸韧性，这可能是由于网络的不均一性增加（与衍生自双官能烯丙基化酚酸的网络相比，玻璃化转变宽度较高所表明）

  DOI：

  10.1021/acs.macromol.6b01018

文献信息

• Synthesis of novel aromatic macrolactones via ring closing metathesis of substituted phenylalkanoic acid allylic esters
  作者：David P. Brown、Hoan Q. Duong

  DOI：10.1002/jhet.5570450222

  日期：2008.3

  Stable aromatic macrolactones have been synthesized and characterized from 2- and 3-substituted phenylalkanoic acid systems in modest yields.

  从2-和3-取代的苯基链烷酸体系以适度的产率合成并表征了稳定的芳族大内酯。
• Enediyne derivatives useful for the synthesis of conjugates of
  申请人：American Cyanamid Company

  公开号：US05739116A1

  公开（公告）日：1998-04-14

  This invention describes carrier-drug conjugates prepared from disulfide analogs of the calicheamicin family of potent antitumor antibiotics and their derivatives, as well as similar analogs from related antitumor antibiotics such as the esperamicins. The carrier can be an antibody, growth factor, or steroid which targets an undesired population of cells, such as those of a tumor. Whole protein carriers as well as their antigen-recognizing fragments and their chemically or genetically manipulated counterparts are useful for the targeting portion of the conjugates. This invention includes compounds required for the synthesis of these conjugates, appropriate pharmaceutical compositions of the carrier-drug conjugates, and their method of use.

  这项发明描述了从强效抗肿瘤抗生素calicheamicin家族的二硫化物类似物及其衍生物以及类似的来自于相关抗肿瘤抗生素esperamicin的类似物制备的载体-药物共轭物，载体可以是针对不需要的细胞群体（例如肿瘤细胞）的抗体、生长因子或类固醇。整个蛋白质载体以及它们的抗原识别片段和其化学或基因组操作的对应物都可用于共轭物的靶向部分。该发明包括合成这些共轭物所需的化合物、适当的药物组合物和它们的使用方法。
• Conjugates of methyltrithio antitumor agents and intermediates for their
  申请人：American Cyanamid Company

  公开号：US05773001A1

  公开（公告）日：1998-06-30

  This invention describes carrier-drug conjugates prepared from disulfide analogs of the calicheamicin family of potent antitumor antibiotics and their derivatives, as well as similar analogs from related antitumor antibiotics such as the esperamicins. The carrier can be an antibody, growth factor, or steroid which targets an undesired population of cells, such as those of a tumor. Whole protein carriers as well as their antigen-recognizing fragments and their chemically or genetically manipulated counterparts are useful for the targeting portion of the conjugates. This invention includes compounds required for the synthesis of these conjugates, appropriate pharmaceutical compositions of the carrier-drug conjugates, and their method of use.

  本发明描述了由卡利奇阿霉素家族的二硫化物类似物及其衍生物制备的载体-药物共轭物，以及来自相关抗肿瘤抗生素（如埃斯佩拉霉素）的类似物。载体可以是抗体、生长因子或类固醇，其靶向不需要的细胞群体，如肿瘤细胞。整个蛋白质载体以及其抗原识别片段和其化学或基因操作的对应物对共轭物的靶向部分都有用。本发明包括合成这些共轭物所需的化合物、载体-药物共轭物的适当药物组成以及它们的使用方法。
• Linkers useful for the synthesis of conjugates of methyltrithio
  申请人：American Cyanamid Company

  公开号：US05767285A1

  公开（公告）日：1998-06-16

  This invention describes carrier-drug conjugates prepared from disulfide analogs of the calicheamicin family of potent antitumor antibiotics and their derivatives, as well as similar analogs from related antitumor antibiotics such as the esperamicins. The carrier can be an antibody, growth factor, or steroid which targets an undesired population of cells, such as those of a tumor. Whole protein carriers as well as their antigen-recognizing fragments and their chemically or genetically manipulated counterparts are useful for the targeting portion of the conjugates. This invention includes compounds required for the synthesis of these conjugates, appropriate pharmaceutical compositions of the carrier-drug conjugates, and their method of use.

  本发明描述了由强效抗肿瘤抗生素calicheamicin家族的二硫键类似物及其衍生物以及类似的esperamicins的类似物制备的载体-药物共轭物，载体可以是抗体、生长因子或类固醇，其针对不需要的细胞群体，例如肿瘤细胞。整个蛋白质载体以及它们的抗原识别片段和它们的化学或基因操作的对应物对于共轭物的靶向部分是有用的。本发明包括用于这些共轭物的合成所需的化合物，载体-药物共轭物的适当药物组成以及它们的使用方法。
• Process for preparing conjugates of methyltrithio antitumor agents
  申请人：American Cyanamid Company

  公开号：US05877296A1

  公开（公告）日：1999-03-02

  This invention describes carrier-drug conjugates prepared from disulfide analogs of the calicheamicin family of potent antitumor antibiotics and their derivatives, as well as similar analogs from related antitumor antibiotics such as the esperamicins. The carrier can be an antibody, growth factor, or steroid which targets an undesired population of cells, such as those of a tumor. Whole protein carriers as well as their antigen-recognizing fragments and their chemically or genetically manipulated counterparts are useful for the targeting portion of the conjugates. This invention includes compounds required for the synthesis of these conjugates, appropriate pharmaceutical compositions of the carrier-drug conjugates, and their method of use.

  本发明描述了从卡利切阿霉素家族的二硫化物类似物及其衍生物以及类似的抗肿瘤抗生素如埃斯佩拉霉素中制备的载体-药物结合物，载体可以是抗体、生长因子或类固醇，其靶向不需要的细胞群体，例如肿瘤细胞。整个蛋白质载体以及其抗原识别片段以及其化学或基因操纵的对应物对于结合物的靶向部分是有用的。本发明包括合成这些结合物所需的化合物，载体-药物结合物的适当药物组成以及它们的使用方法。