(3,3-Dimethyl-2-oxo-5-oxaheptyl)phosphonsaeure-dimethylester | 58687-25-5

• 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: (3,3-Dimethyl-2-oxo-5-oxaheptyl)phosphonsaeure-dimethylester
• 英文别名: dimethyl 3,3-dimethyl-2-oxo-5-oxa-heptylphosphonate；dimethyl-2-oxo-3,3-dimethyl-5-oxa-heptyl phosphonate；dimethyl 2-oxo-3,3-dimethyl-4-ethoxy-butyl-phosphonate；dimethyl 2-oxo-3,3-dimethyl-5-oxa-heptanyl-phosphonate；Dimethyl (4-ethoxy-3,3-dimethyl-2-oxobutyl)phosphonate；1-dimethoxyphosphoryl-4-ethoxy-3,3-dimethylbutan-2-one
• CAS: 58687-25-5
• 化学式: C₁₀H₂₁O₅P
• 分子量: 252.247
• InChiKey: CKXKCMGANIESSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3,3-Dimethyl-2-oxo-5-oxaheptyl)phosphonsaeure-dimethylester 在 sodium hydroxide 、 sodium hydride 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 52.5h， 生成 (1R,5S,6S,7S)-(+)-6-<(1E)-4,4-Dimethyl-3-oxo-6-oxa-1-octenyl>-7-hydroxy-2-oxabicyclo<3.3.0>octan-3-on
  参考文献：
  名称：

  Bartmann, Wilhelm; Beck, Gerhard; Jaehne, Gerhard, Liebigs Annalen der Chemie, 1987, p. 321 - 326

  摘要：

  DOI：
• 作为产物：
  描述：

  β-Aethoxypivalinsaeureaethylester 、 甲基膦酸二甲酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 水 、 乙酸乙酯 为溶剂， 生成 (3,3-Dimethyl-2-oxo-5-oxaheptyl)phosphonsaeure-dimethylester
  参考文献：
  名称：

  2,5,6,7-tetranor-4,8-inter-m-phenylene PGI.sub.2 derivatives

  摘要：

  本文披露了一种展现出优异体内持续时间和活性的新型前列腺素I.sub.2（PGI.sub.2）衍生物，所述衍生物由以下一般式表示：##STR1##其中R.sub.1、X、R.sub.2和R.sub.3如本文所定义。

  公开号：

  US04775692A1

文献信息

• Novel prostaglandin derivatives
  申请人：Hoechst Aktiengesellschaft

  公开号：US04182773A1

  公开（公告）日：1980-01-08

  What is disclosed are prostaglandin-analogous cyclopentane derivatives of the formula I ##STR1## wherein R.sup.1 is hydrogen or a linear or branched, saturated or unsaturated aliphatic or cycloaliphatic radical having from 1 to 8 carbon atoms, or an araliphatic radical having from 7 to 9 carbon atoms, or a physiologically tolerable metal, NH.sub.4 or substituted ammonium ion derived from a primary, secondary or tertiary amine; R.sup.2 is a linear or branched, saturated or unsaturated aliphatic hydrocarbon radical having from 1 to 8 carbon atoms; R.sup.3 is hydrogen or a R.sup.4 CO group wherein R.sup.4 is a hydrogen atom or a linear or branched alkyl group having up to 10 carbon atoms; A is a saturated, linear or branched alkylene group having from 2 to 5 carbon atoms, and a process for the manufacture thereof.

  所披露的是公式I的前列腺素类环戊烷衍生物，其中R.sup.1为氢或具有1至8个碳原子的线性或支链、饱和或不饱和脂肪族或环脂族基团，或者具有7至9个碳原子的芳基脂肪族基团，或者从一次、二次或三次胺衍生的生理耐受金属、NH.sub.4或取代铵离子；R.sup.2为具有1至8个碳原子的线性或支链、饱和或不饱和脂肪烃基团；R.sup.3为氢或R.sup.4 CO基团，其中R.sup.4为氢原子或具有最多10个碳原子的线性或支链烷基基团；A为具有2至5个碳原子的饱和、线性或支链烷基基团，以及其制造方法。
• Synthese von (±)-(E)-2-(1-thia-4-äthoxycarbonylbutyl)-4-(3-hydroxy-1-octenyl)-Δ1-pyrrolin und seiner analogen
  作者：W Bartmann、G Beck、J Knolle、R.H Rupp

  DOI：10.1016/s0040-4039(00)87501-2

  日期：1982.1

  Starting from 4-methoxycarbonylpyrrolidin-2-one (1) the racemic thiolactim ethers (7a-h) can be obtained via S-alkylation of the thiolactam alcohol (3), subsequent oxidation, Horner-Emmons-Wittig reaction and reduction of the enones.

  从4-甲氧基羰基吡咯烷-2-酮（1）开始，外消旋的硫代内酰胺醚（7a-h）可以通过硫代内酰胺醇（3）的S-烷基化，随后的氧化，霍纳-埃蒙斯-维蒂希反应和烯酮的还原而获得。 。
• Analogues of prostaglandins
  申请人：Hoechst Aktiengesellschaft

  公开号：US04061671A1

  公开（公告）日：1977-12-06

  The present invention relates to analogues of prostanoic acids of the formula I ##STR1## their physiologically acceptable salts with organic and inorganic bases, their esters with aliphatic, cycloaliphatic or araliphatic alcohols and to a process for the manufacture of these compounds. The compounds according to the invention have valuable pharmacological properties and can be used as medicaments.

  本发明涉及公式I的前列腺酸类似物##STR1##以及它们与有机和无机碱的生理上可接受的盐，它们与脂肪族，环脂族或芳基脂肪醇的酯，以及这些化合物的制造方法。根据本发明的化合物具有有价值的药理学特性，可用作药物。
• 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0232776A2

  公开（公告）日：1987-08-19

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

  本文公开了新型前列腺素 I2 (PGI2) 衍生物，其在体内的持续时间和活性极佳，所述衍生物由通式表示： 其中 R1、X、R2 和 R3 如本文所定义。
• 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0365678A1

  公开（公告）日：1990-05-02

  2,5,6,7-Tetranor-4,8-inter-m-phenylene PGl2 derivatives such as 16-methyl-2,5,6,-tetranor-4,8-!nter-m-phenylene PGl2 and its methyl ester, 17-methyl-2,5,6,7-tetranor-4,8-inter-m-phenylene PGl2 and its methyl ester, 15-phenyl-2,5,6,7,16,17,18,19,20-nonanor-4,8-inter-m-phenylene PGI2, 16-methyl-17-phenyl-2,5,6,7,18,19,20-heptanor-4,8-l-nter-m- phenylene PGl2, 16,16-dimethyl-17-phenyl-2,5,6,7,18,19,20-heptanor--4,8-inter-m-phenylene PG12, 16-methyl-16-phenoxy-2.5,6,7,17,18,19,20-octanor-4, 8- ,inter-m-phenylene PGI2, 16-methyl-16-phenoxy-2,5,6,7,18,19,20-heptanor-4,8--inter-m- phenylene PGl2 and its methyl ester and 3-decarboxy-3-hydroxymethyl-16-methyl-16-phenoxy-2,5.6.7,18,19,20-heptanor- 4,8-inter-m-phenylene PG12, useful as medicines, are disclosed. These derivatives are useful as, for example, antiulceric agents, hypotensives, and antithrombotic agents.

  nter-m-phenylene PGl2 及其甲酯、17-甲基-2,5,6,7-tetranor-4,8-inter-m-phenylene PGl2 及其甲酯、15-苯基-2,5,6,7,16,17,18,19,20-nonanor-4,8-inter-m-phenylene PGI2、16-methyl-17-phenyl-2,5,6,7,18,19,20-heptanor-4,8-l-nter-m- phenylene PGl2, 16,16-dimethyl-17-phenyl-2,5,6,7,18,19,20-heptanor--4,8-inter-m-phenylene PG12, 16-methyl-16-phenoxy-2.5,6,7,17,18,19,20-辛硼烷-4,8-间亚苯基 PGI2、16-甲基-16-苯氧基-2,5,6,7,18,19,20-庚硼烷-4,8-间亚苯基 PGl2 及其甲酯和 3-癸羧基-3-羟甲基-16-甲基-16-苯氧基-2,5,6,7,18,19,20-庚硼烷-4,8-间亚苯基 PGl2 及其甲酯。6.7,18,19,20-heptanor- 4,8-inter-m-phenylene PG12，可用作药物。这些衍生物可用作抗溃疡剂、降血压剂和抗血栓剂等。