(5R,6S)-N-(5-methanesulfonyloxy-2,2-dimethyl-1,3-dioxepan-6-yl)-3-acetoxy-2-methylbenzamide | 188936-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (5R,6S)-N-(5-methanesulfonyloxy-2,2-dimethyl-1,3-dioxepan-6-yl)-3-acetoxy-2-methylbenzamide
• 英文别名: [3-[[(5S,6R)-2,2-dimethyl-6-methylsulfonyloxy-1,3-dioxepan-5-yl]carbamoyl]-2-methylphenyl] acetate
• CAS: 188936-03-0
• 化学式: C₁₈H₂₅NO₈S
• 分子量: 415.464
• InChiKey: ZTJYOIGNPFHVOT-HOCLYGCPSA-N

物化性质

• 沸点：
  572.4±50.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (5R,6S)-N-(5-methanesulfonyloxy-2,2-dimethyl-1,3-dioxepan-6-yl)-3-acetoxy-2-methylbenzamide 在 三氟化硼乙醚 、 potassium carbonate 作用下， 以 甲醇 、 水 、 乙二醇 为溶剂， 反应 20.0h， 生成 奈非那韦
  参考文献：
  名称：

  A Practical Synthesis of Nelfinavir, an HIV-Protease Inhibitor, Using a Novel Chiral C4 Building Block:  (5R,6S)-2,2-Dimethyl-5-hydroxy-1,3-dioxepan-6-ylammonium Acetate

  摘要：

  DOI：

  10.1021/jo981472n
• 作为产物：
  描述：

  3-乙酰氧基-2-甲基苯甲酰氯 在 碳酸氢钠 、 三乙胺 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 (5R,6S)-N-(5-methanesulfonyloxy-2,2-dimethyl-1,3-dioxepan-6-yl)-3-acetoxy-2-methylbenzamide
  参考文献：
  名称：

  A Practical Synthesis of Nelfinavir, an HIV-Protease Inhibitor, Using a Novel Chiral C4 Building Block:  (5R,6S)-2,2-Dimethyl-5-hydroxy-1,3-dioxepan-6-ylammonium Acetate

  摘要：

  DOI：

  10.1021/jo981472n

文献信息

• Production of amide derivatives and intermediates therefor
  申请人：——

  公开号：US20010021782A1

  公开（公告）日：2001-09-13

  A method for producing an amide derivative of the formula [XV] 1 wherein each symbol is as defined in the specification, and an enantiomer thereof, a novel intermediate useful for producing said compound and a production method thereof. The production method of the present invention is extremely easy and simple as compared to the conventional methods, and enables effective production of compound [XV] at high yields, which includes compound [XVI] having an HIV protease inhibitory action. In addition, the novel intermediates of the present invention are extremely useful as intermediates for producing not only the aforementioned compound [XVI] but also compounds useful as X-ray contrast media.

  一种生产式子[XV]1的酰胺衍生物及其对映体的方法，其中每个符号如规范中所定义，以及用于生产所述化合物的新型中间体及其生产方法。与传统方法相比，本发明的生产方法非常简单易行，并能够高产地有效地生产化合物[XV]，其中包括具有HIV蛋白酶抑制作用的化合物[XVI]。此外，本发明的新型中间体极为有用，不仅可用于生产上述化合物[XVI]，还可用于生产作为X射线造影剂的化合物。
• Methods for producing amide derivative
  申请人：——

  公开号：US20030040633A1

  公开（公告）日：2003-02-27

  A method for producing an amide derivative of the formula [XV] 1 wherein each symbol is as defined in the specification, and an enantiomer thereof, a novel intermediate useful for producing said compound and a production method thereof. The production method of the present invention is extremely easy and simple as compared to the conventional methods, and enables effective production of compound [XV] at high yields, which includes compound [XVI] having an HIV protease inhibitory action. In addition, the novel intermediates of the present invention are extremely useful as intermediates for producing not only the aforementioned compound [XVI] but also compounds useful as X-ray contrast media.

  一种生产化合物[XV]1的酰胺衍生物及其对映异构体的方法，其中每个符号如规范中所定义，以及用于生产该化合物的一种新型中间体及其生产方法。与传统方法相比，本发明的生产方法非常简单易行，并能够高产地有效生产包括具有HIV蛋白酶抑制作用的化合物[XVI]在内的化合物[XV]。此外，本发明的新型中间体不仅极其有用，可用于生产上述化合物[XVI]，还可用于生产作为X射线造影剂的化合物。
• 4-(2-AMINO-1-HYDROXYETHYL)OXAZOLINE DERIVATIVE AND METHOD FOR PRODUCING SAME
  申请人：——

  公开号：US20020049337A1

  公开（公告）日：2002-04-25

  A method for producing an amide derivative of the formula [XV] 1 wherein each symbol is as defined in the specification, and an enantiomer thereof, a novel intermediate useful for producing said compound and a production method thereof. The production method of the present invention is extremely easy and simple as compared to the conventional methods, and enables effective production of compound [XV] at high yields, which includes compound [XVI] having an HIV protease inhibitory action. In addition, the novel intermediates of the present invention are extremely useful as intermediates for producing not only the aforementioned compound [XVI] but also compounds useful as X-ray contrast media.

  一种制备式[XV]1酰胺衍生物及其对映异构体的方法，其中每个符号如规范中所定义，以及用于制备该化合物的新型中间体及其生产方法。本发明的生产方法与传统方法相比极为简单易行，可高产地有效制备包括具有HIV蛋白酶抑制作用的化合物[XVI]在内的化合物[XV]。此外，本发明的新型中间体不仅极为有用，可用于制备前述的化合物[XVI]，还可用于制备作为X射线造影剂有用的化合物。
• 4-(2-amino-1-hydroxyethyl)oxazoline derivative and method for producing same
  申请人：Japan Tobacco Inc.

  公开号：US06476232B2

  公开（公告）日：2002-11-05

  A 4-(2-amino-1-hydroxyethyl)oxazoline derivative of the formula [XIII] and a method for producing the same, in which R4 is an optionally substituted alkyl, an optionally substituted aryl, an optionally substituted heteroaryl, an optionally substituted aralkyl or an optionally substituted heteroarylalkyl, and R6 and R7 are the same or different and each is a hydrogen atom, an optionally substituted alkyl, an optionally substituted aryl, an optionally substituted heteroaryl or an optionally substituted aralkyl, or R6 and R7 combinedly form, together with the adjacent nitrogen atom, a hetero ring, the hetero ring being optionally substituted by halogen atom, alkyl, alkenyl, alkoxy, amino, alkoxycarbonyl, carboxamide or alkyl-substituted carbamoyl, an enantiomer thereof or a salt thereof.

  一种公式为［XIII］的4-(2-氨基-1-羟乙基)噁唑啉衍生物及其制备方法，其中R4为可选取代的烷基、可选取代的芳基、可选取代的杂环芳基、可选取代的芳基烷基或可选取代的杂环芳基烷基；R6和R7相同或不同，分别为氢原子、可选取代的烷基、可选取代的芳基、可选取代的杂环芳基或可选取代的芳基烷基，或R6和R7与相邻的氮原子一起形成一个杂环，该杂环可选取代为卤素原子、烷基、烯基、烷氧基、氨基、烷氧羰基、羧酰胺或取代烷基的氨基甲酰基，其对映异构体或其盐。
• Process for producing amide derivatives and intermediates therefor
  申请人：Japan Tobacco Inc.

  公开号：US06133461A1

  公开（公告）日：2000-10-17

  A method for producing an amide derivative of the formula [XV] ##STR1## wherein each symbol is as defined in the specification, and an enantiomer thereof, a novel intermediate useful for producing said compound and a production method thereof. The production method of the present invention is extremely easy and simple as compared to the conventional methods, and enables effective production of compound [XV] at high yields, which includes compound [XVI] having an HIV protease inhibitory action. In addition, the novel intermediates of the present invention are extremely useful as intermediates for producing not only the aforementioned compound [XVI] but also compounds useful as X-ray contrast media.

  一种制备式[XV]的酰胺衍生物及其对映异构体的方法，其中每个符号如规范中所定义，并且一种用于制备该化合物的新型中间体及其生产方法。本发明的生产方法与传统方法相比极为简单易行，并能高效地产生包括具有HIV蛋白酶抑制作用的化合物[XVI]在内的高收率的化合物[XV]。此外，本发明的新型中间体不仅极为有用，可用作制备上述化合物[XVI]，还可用作制备X射线造影剂的化合物。