Dimethyl (3,3-dimethyl-2-oxooct-5-yn-1-yl)phosphonate | 85462-95-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: Dimethyl (3,3-dimethyl-2-oxooct-5-yn-1-yl)phosphonate
• 英文别名: 1-dimethoxyphosphoryl-3,3-dimethyloct-5-yn-2-one
• CAS: 85462-95-9
• 化学式: C₁₂H₂₁O₄P
• 分子量: 260.27
• InChiKey: GGMCUAHRMNAHMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl (Z)-5-[(1S,2S,3aS,7aR)-1-formyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pent-4-enoate 、 Dimethyl (3,3-dimethyl-2-oxooct-5-yn-1-yl)phosphonate 生成 ethyl (Z)-5-[(1R,2S,3aS,7aR)-1-[(E)-4,4-dimethyl-3-oxonon-1-en-6-ynyl]-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pent-4-enoate
  参考文献：
  名称：

  SHIBASAKI, MASAKATSU;TAKAHASHI, ATSUO;AOKI, TSUYOSHI;SATO, HIROYASU;NARIT+, CHEM. AND PHARM. BULL., 37,(1989) N, C. 1647-1649

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 2,2-dimethyl-4-heptynoate 生成 Dimethyl (3,3-dimethyl-2-oxooct-5-yn-1-yl)phosphonate
  参考文献：
  名称：

  SHIBASAKI, MASAKATSU;TAKAHASHI, ATSUO;AOKI, TSUYOSHI;SATO, HIROYASU;NARIT+, CHEM. AND PHARM. BULL., 37,(1989) N, C. 1647-1649

  摘要：

  DOI：

文献信息

• Carbacyclins, their preparation and pharmacological use
  申请人：Schering Aktiengesellschaft

  公开号：US04497830A1

  公开（公告）日：1985-02-05

  Compounds of Formula I ##STR1## wherein X is oxygen or CH.sub.2 ; A is CH.sub.2 --CH.sub.2, trans-CH.dbd.CH or C.tbd.C; W is free or functionally modified hydroxymethylene or free or functionally modified ##STR2## and the OH groups may be in the .alpha.- or the .beta.-position; D is straight chain or branched, saturated or unsaturated hydrocarbon aliphatic of from 1 to 10 carbon atoms, which may be substituted by fluorine; E is C.tbd.C or CR.sub.3 .dbd.CR.sub.4, R.sub.3 and R.sub.4 being different and being hydrogen or alkyl of 1 to 5 carbon atoms; R.sub.1 is free or functionally modified hydroxy; and R.sub.2 is alkyl, cycloalkyl, optionally substituted aryl or heterocyclic, have valuable pharmacological properties, e.g., hypotensive and bronchodilatory characteristics. They can furthermore be used for prophylaxis and therapy of coronary infarct and as a treatment for stroke. They are produced by means of reduction of the corresponding 1-carbonic acid derivatives.

  式I的化合物##STR1##其中X为氧或CH.sub.2; A为CH.sub.2-CH.sub.2、反-CH.dbd.CH或C.tbd.C; W为自由或功能修饰的羟甲基或自由或功能修饰的##STR2##羟基可以位于α或β位; D为直链或支链、饱和或不饱和的1至10个碳原子的脂肪族烃基，可以被氟取代; E为C.tbd.C或CR.sub.3.dbd.CR.sub.4，其中R.sub.3和R.sub.4不同，且为氢或1至5个碳原子的烷基; R.sub.1为自由或功能修饰的羟基; R.sub.2为烷基、环烷基、可选取代的芳基或杂环基，具有有价值的药理特性，例如降压和支气管扩张特性。此外，它们还可用于冠状动脉梗塞的预防和治疗以及中风的治疗。它们是通过还原相应的1-羧酸衍生物制备的。
• 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0274064A2

  公开（公告）日：1988-07-13

  Disclosed herein are novel prostaglandin I2 (PGI2) derivatives exhibiting excellent physiological activities, said derivatives being represented by the general formula: wherein R1, R2 and R3 are as defined herein.

  本文公开的是新型前列腺素 I2 (PGI2) 衍生物，具有优异的生理活性，所述衍生物由通式表示：其中 R1、R2 和 R3 如本文所定义。
• SHIBASAKI, MASAKATSU;TAKAHASHI, ATSUO;AOKI, TSUYOSHI;SATO, HIROYASU;NARIT+, CHEM. AND PHARM. BULL., 37,(1989) N, C. 1647-1649
  作者：SHIBASAKI, MASAKATSU、TAKAHASHI, ATSUO、AOKI, TSUYOSHI、SATO, HIROYASU、NARIT+

  DOI：——

  日期：——
• SKUBALLA, W.;RADUECHEL, B.;VORBRUEGGEN, H.;CASALS, J.;MANNESMANN, G.;TOWN+
  作者：SKUBALLA, W.、RADUECHEL, B.、VORBRUEGGEN, H.、CASALS, J.、MANNESMANN, G.、TOWN+

  DOI：——

  日期：——
• US4880939A
  申请人：——

  公开号：US4880939A

  公开（公告）日：1989-11-14