Toluene-4-sulfonic acid 3-(4-methoxy-phenyl)-3-methyl-cyclobutyl ester | 401895-13-4

• 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: Toluene-4-sulfonic acid 3-(4-methoxy-phenyl)-3-methyl-cyclobutyl ester
• CAS: 401895-13-4
• 化学式: C₁₉H₂₂O₄S
• 分子量: 346.447
• InChiKey: JLYVPHWCFSIQNK-UHFFFAOYSA-N

物化性质

• 沸点：
  483.4±45.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Toluene-4-sulfonic acid 3-(4-methoxy-phenyl)-3-methyl-cyclobutyl ester 在 4,5-dihydroimidazol-2-ylidene-Ru potassium tert-butylate 作用下， 以 二甲基亚砜 、 1,2-二氯乙烷 为溶剂， 反应 64.0h， 生成 1-methoxy-4-(3-methylhexa-1,5-dien-3-yl)benzene
  参考文献：
  名称：

  Employment of a cyclobutene ring-opening metathesis reaction towards a concise synthesis of (±)-sporochnol A

  摘要：

  A concise formal synthesis of (+/-)-sporochnol A 1, a naturally occurring feeding deterrent towards herbivorous fish, is described. The target compound was prepared by the employment of a Ru-catalysed cyclobutene ring-opening metathesis reaction with gaseous ethylene followed by a site selective hydroboration reaction as the key steps. The optimisation of the metathesis process regarding the Ru-catalyst and reaction conditions is also delineated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02007-x
• 作为产物：
  描述：

  3-(4-Methoxyphenyl)-3-methylcyclobutan-1-one 在 sodium tetrahydroborate 作用下， 以 吡啶 、 甲醇 为溶剂， 生成 Toluene-4-sulfonic acid 3-(4-methoxy-phenyl)-3-methyl-cyclobutyl ester
  参考文献：
  名称：

  Employment of a cyclobutene ring-opening metathesis reaction towards a concise synthesis of (±)-sporochnol A

  摘要：

  A concise formal synthesis of (+/-)-sporochnol A 1, a naturally occurring feeding deterrent towards herbivorous fish, is described. The target compound was prepared by the employment of a Ru-catalysed cyclobutene ring-opening metathesis reaction with gaseous ethylene followed by a site selective hydroboration reaction as the key steps. The optimisation of the metathesis process regarding the Ru-catalyst and reaction conditions is also delineated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02007-x