heptyl 3-nitrobenzoate | 111286-07-8

• 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: heptyl 3-nitrobenzoate
• CAS: 111286-07-8
• 化学式: C₁₄H₁₉NO₄
• 分子量: 265.309
• InChiKey: WBJOYKGIQYFPCS-UHFFFAOYSA-N

物化性质

• 沸点：
  370.7±15.0 °C(Predicted)
• 密度：
  1.113±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  正庚醇 、 间硝基苯甲酸 在 Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) 作用下， 以 环己烷 为溶剂， 反应 24.0h， 以60%的产率得到heptyl 3-nitrobenzoate
  参考文献：
  名称：

  Immobilised Candida antarctica B as efficient catalyst for the synthesis of local anaesthetic intermediates

  摘要：

  We hereby present the development of new reaction conditions for the CALB catalysed esterification of substituted benzoic acids. Using cyclohexane as the reaction media a number of heptyl benzoates have been easily isolated in good to excellent yields (up to 100% at 80 degrees C, 20-24 h). Moreover, the catalytic system has been successfully applied to the synthesis of local anaesthetics intermediates also showing good productivity in recycling experiments. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.065

文献信息

• ZHANG, JINGWEN;XU, ZHILUO;HUANG, HUAMIN;CENG, WEI, ACTA SCI. NATUR. UNIV. JILINENSIS,(1988) N 1, 112-114
  作者：ZHANG, JINGWEN、XU, ZHILUO、HUANG, HUAMIN、CENG, WEI

  DOI：——

  日期：——
• Immobilised Candida antarctica B as efficient catalyst for the synthesis of local anaesthetic intermediates
  作者：Daniela Giunta、Maria Paola Masia、Mauro Marchetti、Raffaele Morrone、Maurizio Solinas

  DOI：10.1016/j.tetlet.2013.07.065

  日期：2013.9

  We hereby present the development of new reaction conditions for the CALB catalysed esterification of substituted benzoic acids. Using cyclohexane as the reaction media a number of heptyl benzoates have been easily isolated in good to excellent yields (up to 100% at 80 degrees C, 20-24 h). Moreover, the catalytic system has been successfully applied to the synthesis of local anaesthetics intermediates also showing good productivity in recycling experiments. (C) 2013 Elsevier Ltd. All rights reserved.