p-Trifluormethyl-benzyltosylat | 29690-39-9

• 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: p-Trifluormethyl-benzyltosylat
• 英文别名: p-Toluenesulfonic acid 4-(trifluoromethyl)benzyl ester；[4-(trifluoromethyl)phenyl]methyl 4-methylbenzenesulfonate
• CAS: 29690-39-9
• 化学式: C₁₅H₁₃F₃O₃S
• 分子量: 330.328
• InChiKey: VTXJXUJTNYSFCE-UHFFFAOYSA-N

物化性质

• 沸点：
  416.3±45.0 °C(Predicted)
• 密度：
  1.331±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  p-Trifluormethyl-benzyltosylat 、 2-[1-(4-Hydroxy-phenyl)-meth-(E)-ylidene]-4-(3aR,7aS)-octahydro-isoindol-2-yl-4-oxo-butyric acid ethyl ester 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 4-(3aR,7aS)-Octahydro-isoindol-2-yl-4-oxo-2-[1-[4-(4-trifluoromethyl-benzyloxy)-phenyl]-meth-(E)-ylidene]-butyric acid ethyl ester
  参考文献：
  名称：

  Hybridization of non-sulfonylurea insulin secretagogue and thiazolidinedione-derived insulin sensitizer

  摘要：

  Hybrid compounds of non-sulfonylurea insulinotropic agents and thiazolidinedione-derived insulin-sensitizing agents were designed and synthesized. The benzylidenesuccinic acid derivative 24 was equal both to nateglinide in potency of insulin-releasing activity and to pioglitazone in insulin-sensitizing activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00491-1
• 作为产物：
  描述：

  4-三氟甲基苯甲酰氯 在 lithium aluminium tetrahydride 作用下， 生成 p-Trifluormethyl-benzyltosylat
  参考文献：
  名称：

  Acetolysis reactivities of substituted benzyl and polycyclic arylmethyl p-toluenesulfonates. Correlations with SCF [self-consistant field]-.pi. and CNDO [complete neglect of differential overlap] MO methods

  摘要：

  DOI：

  10.1021/ja00720a025

文献信息

• Acetolysis reactivities of substituted benzyl and polycyclic arylmethyl p-toluenesulfonates. Correlations with SCF [self-consistant field]-.pi. and CNDO [complete neglect of differential overlap] MO methods
  作者：Andrew Streitwieser、H. A. Hammond、R. H. Jagow、Richard Murray Williams、R. G. Jesaitis、C. J. Chang、Robert Wolf

  DOI：10.1021/ja00720a025

  日期：1970.8
• Hybridization of non-sulfonylurea insulin secretagogue and thiazolidinedione-derived insulin sensitizer
  作者：Hiroshi Kitajima、Mitsuharu Nakamura、Hiroki Tamakawa、Nobuharu Goto

  DOI：10.1016/s0960-894x(00)00491-1

  日期：2000.11

  Hybrid compounds of non-sulfonylurea insulinotropic agents and thiazolidinedione-derived insulin-sensitizing agents were designed and synthesized. The benzylidenesuccinic acid derivative 24 was equal both to nateglinide in potency of insulin-releasing activity and to pioglitazone in insulin-sensitizing activity. (C) 2000 Elsevier Science Ltd. All rights reserved.