ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphonyl)-butanoate | 120478-11-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphonyl)-butanoate
• 英文别名: ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulfonyl)-butanoate；Diethyl acetamido[2-(benzenesulfonyl)ethyl]propanedioate；diethyl 2-acetamido-2-[2-(benzenesulfonyl)ethyl]propanedioate
• CAS: 120478-11-7
• 化学式: C₁₇H₂₃NO₇S
• 分子量: 385.438
• InChiKey: CNIGNIFBWSQGEC-UHFFFAOYSA-N

物化性质

• 沸点：
  596.2±50.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphonyl)-butanoate 在 lithium chloride 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 以88%的产率得到ethyl 2-acetylamino-4-(phenylsulfonyl)-butanoate
  参考文献：
  名称：

  Galons, Herve; Labidalle, Serge; Miocque, Marcel, Phosphorus and Sulfur and the Related Elements, 1988, vol. 39, p. 73 - 78

  摘要：

  DOI：
• 作为产物：
  描述：

  diethyl 2-acetamino-2-(2'-phenylsulfinyl)ethylmalonate 以 1,4-二氧六环 为溶剂， 反应 168.0h， 以2.4 mg的产率得到ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphonyl)-butanoate
  参考文献：
  名称：

  Biotransformation of ethyl 2-acetylamino-2-carbethoxy- 4-(phenylsulphinyl)-butanoate by cell suspension of Catharanthus roseus and Thevetia nefiifolia

  摘要：

  Biotransformation of the synthetic substrate, ethyl 2-acetylamino-2-carbethoxy-4-(phenylsuphinyl)-butanoate, by cell suspension cultures of Catharanthus roseus and Thevetia neriifolia was investigated. It was found that only three of six cell lines of T. neriifolia tested biotransfromed the test substrate into a new product, ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphonyl)-butanoate, through a selective oxidizing process not previously described. Such a biotechnological process could be of great interest for the production of new chemical compounds.

  DOI：

  10.1016/0031-9422(92)80353-g

文献信息

• Galons, Herve; Labidalle, Serge; Miocque, Marcel, Phosphorus and Sulfur and the Related Elements, 1988, vol. 39, p. 73 - 78
  作者：Galons, Herve、Labidalle, Serge、Miocque, Marcel、Ligniere, Beatrice、Bram, Georges

  DOI：——

  日期：——
• Biotransformation of ethyl 2-acetylamino-2-carbethoxy- 4-(phenylsulphinyl)-butanoate by cell suspension of Catharanthus roseus and Thevetia nefiifolia
  作者：Ana Maria Dantas Barrosaf、Louis Cosson]、Monique Foulquier、Serge Labidalle、John Osuku-Opio、Hervé Galons、Marcel Miocque、Annie Jacquin-Dubreuil

  DOI：10.1016/0031-9422(92)80353-g

  日期：1992.6

  Biotransformation of the synthetic substrate, ethyl 2-acetylamino-2-carbethoxy-4-(phenylsuphinyl)-butanoate, by cell suspension cultures of Catharanthus roseus and Thevetia neriifolia was investigated. It was found that only three of six cell lines of T. neriifolia tested biotransfromed the test substrate into a new product, ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphonyl)-butanoate, through a selective oxidizing process not previously described. Such a biotechnological process could be of great interest for the production of new chemical compounds.