N-(2-phthalimido)ethyl 3-oxobutanoate | 77389-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: N-(2-phthalimido)ethyl 3-oxobutanoate
• 英文别名: 1-(acetoacetyloxy-2-ethyl)phthalimide；2-Phthalimidoethyl acetoacetate；2-(1,3-dioxoisoindol-2-yl)ethyl 3-oxobutanoate
• CAS: 77389-01-6
• 化学式: C₁₄H₁₃NO₅
• 分子量: 275.261
• InChiKey: CNYJUXBTFKUTBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2-phthalimido)ethyl 3-oxobutanoate 、 methyl (E)-3-aminocrotonate 、 3-甲基苯甲醛 生成 2,6-dimethyl-3-(2-phthalimidocarbethoxy)-4-(3-methylphenyl)-5-carbomethoxy-1,4-dihydropyridine
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  N-羟乙基酞酰亚胺 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 N-(2-phthalimido)ethyl 3-oxobutanoate
  参考文献：
  名称：

  Dihydropyridine vasodilator agents

  摘要：

  以下式子(I)的化合物：##STR1## 其中R.sup.1和R.sup.2是烷基或环烷基，可以被取代，R.sup.4是苯基，例如苯基可以被取代，L是直接键或含氧连结基，R是氢，烷氧基，烷基，卤素或卤代烷基，Het是吡啶基或吡嗪基。这些化合物可用作降压剂或心肌松弛剂。此外，本发明还涉及制药组合物、中间体和合成方法。

  公开号：

  US05100892A1

文献信息

• A Simple and Efficient Method for Transesterification of β-Ketoesters Catalysed by Iodine
  作者：Subhash P. Chavan、Ramesh R. Kale、K. Shivasankar、Sanjay I. Chandake、Swapnanjali B. Benjamin

  DOI：10.1055/s-2003-42433

  日期：——

  A facile transesterification of β-ketoesters using catalytic iodine is described.

  描述了一种使用催化碘进行的简单酯交换反应，适用于β-酮酯。
• Imide containing stabilizers for chlorinated thermoplastics
  申请人：Ciba-Geigy Corporation

  公开号：US04339383A1

  公开（公告）日：1982-07-13

  The invention relates to alkanolamido-.beta.-carboxylic acid esters of the formula I ##STR1## A full definition of the above formula will be found in claim 1 of the specification. These compounds are useful stabilizers for chlorinated thermoplastics.

  本发明涉及化合物的烷基醇胺-.beta.-羧酸酯，其化学式为I##STR1## 上述化学式的完整定义将在说明书的权利要求书中找到。这些化合物是氯化热塑性材料的有用稳定剂。
• Calcium antagonist N-hetero ester 1,4-dihydropyridines
  申请人：Nelson Research & Development Co.

  公开号：US04652573A1

  公开（公告）日：1987-03-24

  Compounds having calcium channel antagonist activity of the formula: ##STR1## wherein R.sub.1 and R.sub.2 are each independently amino, trifluoromethyl, pentafluoroethyl, alkoxy, lower alkenyl, or lower alkynyl or branched or unbranched lower alkyl, which is unsubstituted or is substituted with cyano, hydroxy, acyloxy, hydrazino, lower alkyl amino, or di(lower alkyl)-amino or 5 or 6 membered saturated nitrogen-containing heterocyclic-1-yl, which is unsubstituted or is substituted with oxo, hydroxy, alkyl, and hydroxy (lower alkyl) R.sub.3 is straight- or branched-chain C.sub.1 to C.sub.12 alkyl, alkenyl, alkynyl, or cycloalkyl, and is either unsubstituted or substituted with hydroxy, acyloxy, cyano, di(lower alkyl) amino 5- or 6-membered saturated nitrogen-containing heterocyclic-1-yl or R.sub.3 is --A-R.sub.4, A is a straight- or branched-chain hydrocarbon moiety containing from 2 to 12 carbon atoms and from 0 to 2 double bonds, R.sub.4 is selected from the group consisting of: ##STR2## R.sub.5 is hydrogen, nitro, cyano, azido, amino, trifluoromethyl, alkylamino, dialkylamino, halo, carboxyl, carbalkoxy, alkyl, alkenyl, alkynyl, cycloalkyl, acylamino, carboxamido, sulfonamide, and SO.sub.m -(lower)alkyl where m is 0, 1, or 2 and R.sub.6 is aryl or heteroaryl or a pharmaceutically-acceptable salt thereof are disclosed. Also disclosed is a method of treating hypertension and other disorders by administering an effective amount of a compound of the present invention.

  具有钙通道拮抗活性的化合物的公式：## STR1 ## 其中R1和R2各自独立地为氨基，三氟甲基，五氟乙基，烷氧基，较低的烯基，或较低的炔基或支链或非支链的较低烷基，该烷基未被取代或被取代为氰基，羟基，酰氧基，肼基，较低烷基氨基或二（较低烷基）-氨基或5或6个成员的饱和含氮杂环-1-基，该基未被取代或被取代为氧代，羟基，烷基和羟基（较低烷基）R3为直链或支链C1至C12烷基，烯基，炔基或环烷基，未被取代或被取代为羟基，酰氧基，氰基，二（较低烷基）氨基5-或6-成员饱和含氮杂环-1-基或R3为--A-R4，A为含有2至12个碳原子和0至2个双键的直链或支链碳氢基团，R4选自以下组：## STR2 ## R5为氢，硝基，氰基，偶氮基，氨基，三氟甲基，烷基氨基，二烷基氨基，卤素，羧基，羧酸烷酯，烷基，烯基，炔基，环烷基，酰胺基，羧酰胺基，磺酰胺基和SO.sub.m -（较低）烷基，其中m为0，1或2，以及其药学上可接受的盐。还公开了一种通过给予本发明化合物的有效量来治疗高血压和其他疾病的方法。
• Dihydropyridine vasodilators agents
  申请人：Glaxo Inc.

  公开号：US05258519A1

  公开（公告）日：1993-11-02

  Compounds of the following formula (I): ##STR1## where R.sup.1 and R.sup.2 are alkyl or cycloalkyl, which may be substituted, R.sup.4 is aryl such as phenyl which may be substituted, L is a direct bond or an oxygen containing linking group, R is a hydrogen, alkyloxy, alkyl, halogen or haloalkyl and Het is a pyridinyl or pyridazinyl group. The compounds can be used antihypertensives or myocardial relaxants. Also part of the invention are pharmaceutical compositions, intermediates and methods of synthesis.

  以下式子（I）的化合物：##STR1##其中R.sup.1和R.sup.2是烷基或环烷基，可能被取代，R.sup.4是芳基，例如苯基，可能被取代，L是直接键或含氧连接基，R是氢、烷氧基、烷基、卤素或卤代烷基，Het是吡啶基或吡嗪基。这些化合物可用作降压剂或心肌松弛剂。此外，该发明还涉及制药组合物、中间体和合成方法。
• 1,4-dihydropyridines
  申请人：Nelson Research & Development Co.

  公开号：US04833150A1

  公开（公告）日：1989-05-23

  Compounds having calcium channel antagonist activity of the formula: ##STR1## wherein R.sub.1 and R.sub.2 are each independently amino, trifluoromethyl, pentafluoroethyl, alkoxy, lower alkenyl, or lower alkynyl or branched or unbranched lower alkyl, which is unsubstituted or is substituted with cyano, hydroxy, acyloxy, hydrazino, lower alkyl amino, or di(lower alkyl)-amino or 5 or 6 membered saturated nitrogen-containing heterocyclic-1-yl, which is unsubstituted or is substituted with oxo, hydroxy, alkyl, and hydroxy (lower alkyl) R.sub.3 is straight- or branched-chain C.sub.1 to C.sub.12 alkyl, alkenyl, alkynyl, or cycloalkyl, and is either unsubstituted or substituted with hydroxy, acyloxy, cyano, di(lower alkyl) amino 5- or 6-membered saturated nitrogen-containing heterocyclic -1-yl or R.sub.3 is --A--R.sub.4, A is a straight- or branched-chain hydrocarbon moiety containing from 2 to 12 carbon atoms and from 0 to 2 double bonds, R.sub.4 is selected from the group consisting of: ##STR2## R.sub.5 is hydrogen, nitro, cyano, azido, amino, trifluoromethyl, alkylamino, dialkylamino, halo, carboxyl, carbalkoxy, alkyl, alkenyl, alkynyl, cycloalkyl, acylamino, carboxamido, sulfonamido, and SO.sub.m -(lower)alkyl where m is 0, 1, or 2 and R.sub.6 is aryl or heteroaryl or a pharmaceutically-acceptable salt thereof are disclosed. Also disclosed is a method of treating hypertension and other disorders by administering an effective amount of a compound of the present invention.

  具有钙通道拮抗活性的化合物的化学式为：##STR1## 其中R.sub.1和R.sub.2各自独立地是氨基、三氟甲基、五氟乙基、烷氧基、低碳烯基、或低碳炔基或支链或非支链的低碳烷基，该低碳烷基未被取代或被氰基、羟基、酰氧基、肼基、低碳烷基氨基或二(低碳基)-氨基或5或6成员饱和含氮杂环-1-基取代，该杂环未被取代或被氧代基、羟基、烷基和羟基(低碳烷基)取代；R.sub.3是直链或支链的C.sub.1到C.sub.12烷基、烯基、炔基或环烷基，且未被取代或被羟基、酰氧基、氰基、二(低碳基)氨基、5或6成员饱和含氮杂环-1-基取代，或R.sub.3是--A--R.sub.4，其中A是含有2到12个碳原子和0到2个双键的直链或支链碳氢基团，R.sub.4选自以下群体：##STR2## R.sub.5是氢、硝基、氰基、叠氮基、氨基、三氟甲基、烷基氨基、二烷基氨基、卤素、羧基、羧酸烷酯、烷基、烯基、炔基、环烷基、酰胺基、羧酰氨基、磺酰胺基和SO.sub.m-(低)烷基，其中m为0、1或2，R.sub.6是芳基或杂芳基或其药学上可接受的盐。本发明还公开了通过给予本发明化合物的有效量来治疗高血压和其他疾病的方法。