2-propionyl-3-phenyl-1,3-diazabicyclo[3,3,0]octane | 71350-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-propionyl-3-phenyl-1,3-diazabicyclo[3,3,0]octane
• 英文别名: 1-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)propan-1-one
• CAS: 71350-60-2
• 化学式: C₁₅H₂₀N₂O
• 分子量: 244.337
• InChiKey: ZJSNZUMNCWBONO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-methoxycarbonyl-3-phenyl-1,3-diazabicyclo<3.3.0>octane 、 乙基溴化镁 生成 2-propionyl-3-phenyl-1,3-diazabicyclo[3,3,0]octane
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Process for preparing .alpha.-hydroxyaldehyde
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04383122A1

  公开（公告）日：1983-05-10

  An optically active or racemic .alpha.-hydroxyaldehyde represented by the general formula (2), ##STR1## wherein R.sub.1 represents a C.sub.6 -C.sub.14 aryl group, C.sub.1 -C.sub.10 alkyl group, C.sub.3 -C.sub.10 alkenyl group, C.sub.2 -C.sub.10 alkynyl group, C.sub.7 -C.sub.14 aralkyl group, or a group containing a functional group in the organic portion of said groups and R.sub.2 represents a C.sub.1 -C.sub.10 alkyl group, C.sub.2 -C.sub.10 alkenyl group, C.sub.2 -C.sub.10 alkynyl group, C.sub.7 -C.sub.14 aralkyl group, C.sub.6 -C.sub.14 aryl group, or a group containing a functional group in the organic portion of these groups, which is an important intermediate for preparation of pharmaceuticals and agricultural chemicals, and prepared by allowing an optically active or racemic compound represented by the general formula (1), ##STR2## (wherein A represents a C.sub.6 -C.sub.14 aryl group or a C.sub.1 -C.sub.4 alkyl or alkoxy group- or halogen-substituted C.sub.6 -C.sub.14 aryl group and R.sub.1 is as defined above) to react with a Grignard reagent, and thereafter hydrolyzing the reaction product.

  一种光学活性或外消旋的α-羟基醛，由通式（2）表示，其中R1代表C6-C14芳基，C1-C10烷基，C3-C10烯基，C2-C10炔基，C7-C14芳基烷基或含有有机部分的官能团的基团，R2代表C1-C10烷基，C2-C10烯基，C2-C10炔基，C7-C14芳基烷基，C6-C14芳基或含有有机部分的官能团的基团，该化合物是制备药物和农药的重要中间体，通过将通式（1）表示的光学活性或外消旋化合物（其中A代表C6-C14芳基或C1-C4烷基或烷氧基或卤素取代的C6-C14芳基，R1如上所定义）与格氏试剂反应，然后水解反应产物制备而成。
• Acyl and ester derivatives of 1,3-diazabicyclo[3,3,0]octane
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04584387A1

  公开（公告）日：1986-04-22

  An optically active or racemic .alpha.-hydroxyaldehyde represented by the general formula (2), ##STR1## wherein R.sub.1 represents a C.sub.6 -C.sub.14 aryl group, C.sub.1 -C.sub.10 alkyl group, C.sub.3 -C.sub.10 alkenyl group, C.sub.2 -C.sub.10 alkynyl group, C.sub.7 -C.sub.14 aralkyl group, or a group containing a functional group in the organic portion of said groups and R.sub.2 represents a C.sub.1 -C.sub.10 alkyl group, C.sub.2 -C.sub.10 alkenyl group, C.sub.2 -C.sub.10 alkynyl group, C.sub.7 -C.sub.14 aralkyl group, C.sub.6 -C.sub.14 aryl group, or a group containing a functional group in the organic portion of these groups, which is an important intermediate for preparation of pharmaceuticals and agricultural chemicals, and prepared by allowing an optically active or racemic compound represented by the general formula (1), ##STR2## (wherein A represents a C.sub.6 -C.sub.14 aryl group or a C.sub.1 -C.sub.4 alkyl or alkoxy group- or halogen-substituted C.sub.6 -C.sub.14 aryl group and R.sub.1 is as defined above) to react with a Grignard reagent, and thereafter hydrolyzing the reaction product.

  一种光学活性或外消旋的α-羟基醛，由通式（2）表示，其中R1代表C6-C14芳基、C1-C10烷基、C3-C10烯基、C2-C10炔基、C7-C14芳基烷基或含有有机部分中的官能团的基团；R2代表C1-C10烷基、C2-C10烯基、C2-C10炔基、C7-C14芳基烷基、C6-C14芳基或含有有机部分中的官能团的基团。该化合物是制备制药和农药的重要中间体，通过将由通式（1）表示的光学活性或外消旋化合物与格氏试剂反应，然后水解反应产物制备而成。其中A代表C6-C14芳基或C1-C4烷基或烷氧基或卤素取代的C6-C14芳基，R1如上所定义。
• .alpha.-Hydroxyaldehyde and a process for preparing the same
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04337346A1

  公开（公告）日：1982-06-29

  An optically active or racemic .alpha.-hydroxyaldehyde represented by the general formula (2), ##STR1## wherein R.sub.1 represents a C.sub.6 -C.sub.14 aryl group, C.sub.1 -C.sub.10 alkyl group, C.sub.3 -C.sub.10 alkenyl group, C.sub.2 -C.sub.10 alkynyl group, C.sub.7 -C.sub.14 aralkyl group, or a group containing a functional group in the organic portion of said groups and R.sub.2 represents a C.sub.1 -C.sub.10 alkyl group, C.sub.2 -C.sub.10 alkenyl group, C.sub.2 -C.sub.10 alkynyl group, C.sub.7-C.sub.14 aralkyl group, C.sub.6 -C.sub.14 aryl group, or a group containing a functional group in the organic portion of these groups, which is an important intermediate for preparation of pharmaceuticals and agricultural chemicals, and prepared by allowing an optically active or racemic compound represented by the general formula (1), ##STR2## (wherein A represents a C.sub.6 -C.sub.14 aryl group or a C.sub.1 -C.sub.4 alkyl or alkoxy group- or halogen-substituted C.sub.6 -C.sub.14 aryl group and R.sub.1 is as defined above) to react with a Grignard reagent, and thereafter hydrolyzing the reaction product.

  一种光学活性或外消旋的α-羟基醛，由通式（2）表示，其中R1代表C6-C14芳基，C1-C10烷基，C3-C10烯基，C2-C10炔基，C7-C14芳基烷基或含有所述基有机部分中的功能基团的基团，R2代表C1-C10烷基，C2-C10烯基，C2-C10炔基，C7-C14芳基烷基，C6-C14芳基或含有这些基有机部分中的功能基团的基团。该化合物是制备药物和农药的重要中间体，通过使通式（1）表示的光学活性或外消旋化合物（其中A表示C6-C14芳基或C1-C4烷基或烷氧基或卤素取代的C6-C14芳基，R1如上所述）与格氏试剂反应，然后水解反应产物制备而成。
• Optically active or racemic aminal derivatives, process for preparing same and for converting same to alpha-hydroxyaldehydes
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0011417A1

  公开（公告）日：1980-05-28

  An optically active or racemic a-hydroxyaldehyde of formula wherein R, represents a C6-C14 aryl group, C1-C10 alkyl group, C1-C10 alkenyl group, C2-C10 alkynyl group, C2-C14 aralkyl group, or a group containing a functional group in the organic portion of said groups and R: represents a C1-C10 alkyl group, C1-C10 alkenyl group, C1-C10 alkynyl group, C7-C14 aralkyl group, C6-C14 aryl group or a group containing a functional group in the organic portion of these groups, which is an important intermediate for preparation of pharmaceuticals and agricultural chemicals and can be prepared by reacting an optically active or racemic compound of formula wherein A represents a C6-C14 aryl group or a C1-C4 alkyl or alkoxy group- or halogen-substituted C6-C14 aryl group and R is as defined above, with a Grignard reagent, and thereafter hydrolyzing the reaction product. The compound of formula (1) above can for example be prepared by reaction of an arylglyoxal with an optically active or racemic 2-iN-substituted aminomethyl)pyrroiidine or by reacting a Grignard reagent with an optically active or racemic. diazabicyclooctane derivative which itself can be prepared from a glyoxylate ester or glyoxylate ester hemiacetal and a 2(-N-substituted aminomethyl)pyrrolidine.

  式中具有光学活性或外消旋的 a-羟基醛 其中 R 代表 C6-C14 芳基、C1-C10 烷基、C1-C10 烯基、C2-C10 炔基、C2-C14 芳烷基或在上述基团的有机部分含有官能团的基团，R：代表 C1-C10 烷基、C1-C10 烯基、C1-C10 炔基、C7-C14 芳基、C6-C14 芳基或在这些基团的有机部分含有官能团的基团。 其中 A 代表 C6-C14 芳基或 C1-C4 烷基或烷氧基或卤素取代的 C6-C14 芳基，R 如上定义，与格氏试剂反应，然后水解反应产物。 例如，上述式（1）化合物可通过芳基乙二醛与光学活性的或外消旋的 2-(-N-取代氨甲基)吡咯烷反应制备，或通过格氏试剂与光学活性的或外消旋的二氮杂双环辛烷衍生物反应制备，二氮杂双环辛烷衍生物本身可由乙醛酸酯或乙醛酸酯半缩醛和 2-(-N-取代氨甲基)吡咯烷制备。
• ——
  作者：MUKAIYAMA TERUAKI、 SAKITO YOJI、 ASAMI MASATOSHI

  DOI：——

  日期：——