Propyl (3-hydroxypropoxy)acetate | 90883-51-5

• 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: Propyl (3-hydroxypropoxy)acetate
• 英文别名: propyl 2-(3-hydroxypropoxy)acetate
• CAS: 90883-51-5
• 化学式: C₈H₁₆O₄
• 分子量: 176.21
• InChiKey: ISUJZZVUPJOODV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• 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。
• Optically active or racemic diazabicyclooctane derivatives
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0048501A1

  公开（公告）日：1982-03-31

  Optically active or racemic diazabicyclooctane derivatives 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 R3 represents a C1-C4 alkyl group. These compounds can be prepared by reacting a glyoxylate ester or glyoxylate ester hemiacetal with a 2(-N-substituted aminomethyl)pyrrolidine, and can be used to prepare optically active and racemic α-hydroxyaldehydes which are important intermediates in the preparation of pharmaceuticals and agricultural chemicals.

  式中 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，R3 代表 C1-C4 烷基的具有光学活性或外消旋的二氮杂双环辛烷衍生物。 这些化合物可通过乙醛酸酯或乙醛酸酯半缩醛与 2(-N-取代的氨基甲基)吡咯烷反应制备，并可用于制备具有光学活性和外消旋的 α-羟基醛，它们是制备药物和农药的重要中间体。
• Optically active or racemic alpha-hydroxyaldehydes and benzyl derivatives thereof
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0050351B1

  公开（公告）日：1985-03-27
• US4383122A
  申请人：——

  公开号：US4383122A

  公开（公告）日：1983-05-10
• US4337346A
  申请人：——

  公开号：US4337346A

  公开（公告）日：1982-06-29