propargyl 3,4-dihydroxybenzoate

• 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: propargyl 3,4-dihydroxybenzoate
• 英文别名: prop-2-ynyl 3,4-dihydroxybenzoate
• 化学式: C₁₀H₈O₄
• mdl: MFCD24388901
• 分子量: 192.171
• InChiKey: XWPRMXMHWKCDHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 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：

  propargyl 3,4-dihydroxybenzoate 、 1,2-bis{2-[2-(2-tosylethoxy)ethoxy]ethoxy}benzene 在 potassium carbonate 、 lithium bromide 作用下， 以 乙腈 为溶剂， 反应 61.0h， 以71.4%的产率得到prop-2-yn-1-yl 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine-2-carboxylate
  参考文献：
  名称：

  基于冠醚的分子识别构建响应性超分子凝胶

  摘要：

  响应性超分子凝胶由冠醚封端的四臂星形聚（ε-己内酯）（PCL–DB24C8）和二苄基铵封端的两臂PCL–DBAS（参见方案）构建，利用冠醚与铵之间的伪轮烷连接部分。所得的超分子凝胶表现出热和pH诱导的可逆的凝胶-溶胶转变。

  DOI：

  10.1002/anie.200805712
• 作为产物：
  描述：

  原儿茶酸 、 3-溴丙炔 在 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 以68%的产率得到propargyl 3,4-dihydroxybenzoate
  参考文献：
  名称：

  Aliphatically unsaturated hydroxy benzoates and preservative compositions thereof

  摘要：

  本发明的羟基苯甲酸酯化合物由以下式子定义：其中Y为氢、羟基、卤素、C1到C6烷基或C2到C6烷基醚;R为C4到C6单烯或二烯不饱和的碳氢基团、C4到C7单烯或二炔不饱和的碳氢基团或C2到C3炔不饱和的碳氢基团，当X和Y中至少有一个不是氢时；X为氢、羟基、卤素、C1到C6烷基、C2到C6烷基醚或 其中A选自X的群体，B选自Y的群体，R1为氢、羟基、C1到C6烷基、C1到C6烷氧基或—COOR2，其中R2为C1到C6烷基、C2到C6烯烃不饱和的碳氢基团或C2到C7炔不饱和的碳氢基团。本发明还涉及含有效防腐剂量的羟基脂肪酸不饱和苯甲酸酯的食品、饮料、化妆品、农药和局部应用的制药组合物，其公式为：其中X'选自X的群体，Y'选自Y的群体，R4为C2到C6单烯或二烯不饱和的碳氢基团或C2到C7单烯或二炔不饱和的碳氢基团。

  公开号：

  US06316500B1

文献信息

• US6316500B1
  申请人：——

  公开号：US6316500B1

  公开（公告）日：2001-11-13
• [EN] ALIPHATICALLY UNSATURATED HYDROXY BENZOATES AND PRESERVATIVE COMPOSITIONS THEREOF<br/>[FR] HYDROXYBENZOATES ALIPHATIQUEMENT INSATURES ET LEURS COMPOSITIONS DE CONSERVATION
  申请人：ISP INVESTMENTS INC

  公开号：WO2000040544A1

  公开（公告）日：2000-07-13

  The hydroxybenzoate compounds of this invention are defined by the formula (I), wherein Y is hydrogen, hydroxy, halo, a C1 to C6 alkyl or a C2 to C6 alkyl ether; R is a C4 to C6 mono- or di- olefinically unsaturated hydrocarbon radical, a C4 to C7 mono- or di- acetylenically unsaturated hydrocarbon radical or a C2 to C3 acetylenically unsaturated hydrocarbon radical when at least one of X and Y is other than hydrogen and X is hydrogen, hydroxy, halo, a C1 to C6 alkyl, a C2 to C6 alkyl ether or (a) in which A is selected from the group of X, B is selected from the group of Y and R1 is hydrogen, hydroxy, C1 to C6 alkyl, C1 to C6 alkoxy or -COOR2 in which R2 is C1 to C6 alkyl, a C2 to C6 olefinically unsaturated hydrocarbon radical or a C2 to C7 acetylenically unsaturated hydrocarbon radical. The invention also pertains to food, beverage, cosmetic, agrichemical and topically applied pharmaceutical compositions containing an effective preservative amount of the hydroxy aliphatically unsaturated benzoate having formula (II), wherein X' is selected from the group of X; Y' is selected from the group of Y and R4 is a C2 to C6 mono- or di-olefinically unsaturated hydrocarbon radical or a C2 to C7 mono- or di- acetylenically unsaturated hydrocarbon radical.
• Responsive Supramolecular Gels Constructed by Crown Ether Based Molecular Recognition
  作者：Zhishen Ge、Jinming Hu、Feihe Huang、Shiyong Liu

  DOI：10.1002/anie.200805712

  日期：2009.2.23

  Responsive supramolecular gels were constructed from crown ether terminated four‐arm star poly(ε‐caprolactone) (PCL–DB24C8) and dibenzylammonium‐terminated two‐arm PCL–DBAS (see scheme), exploiting the formation of pseudorotaxane linkages between crown ether and ammonium moieties. The resultant supramolecular gels exhibit thermo‐ and pH‐induced reversible gel–sol transition.

  响应性超分子凝胶由冠醚封端的四臂星形聚（ε-己内酯）（PCL–DB24C8）和二苄基铵封端的两臂PCL–DBAS（参见方案）构建，利用冠醚与铵之间的伪轮烷连接部分。所得的超分子凝胶表现出热和pH诱导的可逆的凝胶-溶胶转变。
• Aliphatically unsaturated hydroxy benzoates and preservative compositions thereof
  申请人：ISP Investments Inc.

  公开号：US06316500B1

  公开（公告）日：2001-11-13

  The hydroxybenzoate compounds of this invention are defined by the formula: wherein Y is hydrogen, hydroxy, halo, a C1 to C6 alkyl or a C2 to C6 alkyl ether; R is a C4 to C6 mono- or di-olefinically unsaturated hydrocarbon radical, a C4 to C7 mono- or di-acetylenically unsaturated hydrocarbon radical or a C2 to C3 acetylenically unsaturated hydrocarbon radical when at least one of X and Y is other than hydrogen and X is hydrogen, hydroxy, halo, a C1 to C6 alkyl, a C2 to C6 alkyl ether or  in which A is selected from the group of X, B is selected from the group of Y and R1 is hydrogen, hydroxy, C1 to C6 alkyl, C1 to C6 alkoxy or —COOR2 in which R2 is C1 to C6 alkyl, a C2 to C6 olefinically unsaturated hydrocarbon radical or a C2 to C7 acetylenically unsaturated hydrocarbon radical. The invention also pertains to food, beverage, cosmetic, agrichemical and topically applied pharmaceutical compositions containing an effective preservative amount of the hydroxy aliphatically unsaturated benzoate having the formula: wherein X′ is selected from the group of X; Y′ is selected from the group of Y and R4 is a C2 to C6 mono- or di-olefinically unsaturated hydrocarbon radical or a C2 to C7 mono- or di-acetylenically unsaturated hydrocarbon radical.

  本发明的羟基苯甲酸酯化合物由以下式子定义：其中Y为氢、羟基、卤素、C1到C6烷基或C2到C6烷基醚;R为C4到C6单烯或二烯不饱和的碳氢基团、C4到C7单烯或二炔不饱和的碳氢基团或C2到C3炔不饱和的碳氢基团，当X和Y中至少有一个不是氢时；X为氢、羟基、卤素、C1到C6烷基、C2到C6烷基醚或 其中A选自X的群体，B选自Y的群体，R1为氢、羟基、C1到C6烷基、C1到C6烷氧基或—COOR2，其中R2为C1到C6烷基、C2到C6烯烃不饱和的碳氢基团或C2到C7炔不饱和的碳氢基团。本发明还涉及含有效防腐剂量的羟基脂肪酸不饱和苯甲酸酯的食品、饮料、化妆品、农药和局部应用的制药组合物，其公式为：其中X'选自X的群体，Y'选自Y的群体，R4为C2到C6单烯或二烯不饱和的碳氢基团或C2到C7单烯或二炔不饱和的碳氢基团。