ethoxymethylene acetoacetic acid, ethyl ester | 96088-68-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: ethoxymethylene acetoacetic acid, ethyl ester
• 英文别名: Ethoxymethylene acetoacetic acid ethyl ester；ethyl ethoxymethylene acetoacetate；Ethyl ethoxymethyleneacetoacetate；ethyl 5-ethoxy-3-oxopent-4-enoate
• CAS: 96088-68-5
• 化学式: C₉H₁₄O₄
• 分子量: 186.208
• InChiKey: XDHWYQRLMSOZOP-UHFFFAOYSA-N

物化性质

• 沸点：
  270.7±25.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  ethoxymethylene acetoacetic acid, ethyl ester 、 2,6-二氯-4-三氟甲基苯肼 以 乙醚 为溶剂， 生成 N-[2-ethoxycarbonyl-2-acetylvinyl]-N'-(2,6-dichloro-4-trifluoromethyl-phenyl)-hydrazine
  参考文献：
  名称：

  4-nitro-1-phenylpyrazoles, composition containing them, and method of

  摘要：

  式子如下：##STR1## 其中R.sup.1和R.sup.2各自独立地为氢、烷基、环烷基、羟基烷基、烷氧基烷基、烷硫基烷基或卤代烷基，R.sup.3、R.sup.4、R.sup.5、R.sup.6和R.sup.7各自独立地为氢、卤代、氰基、硝基、烷基、烷氧基、烷硫基、烷基硫醇基、烷基磺酰基、烷氧羰基或--(X).sub.n --R.sup.8，其中X为氧、硫、磺酰基或磺酸基，n为0或1，R.sup.8为卤代烷基。这些化合物对除草和杀虫都有活性。

  公开号：

  US04746354A1
• 作为产物：
  描述：

  乙酰乙酸乙酯 、 原甲酸三乙酯 、 乙酸酐 反应 1.5h， 以gave the product (1)的产率得到ethoxymethylene acetoacetic acid, ethyl ester
  参考文献：
  名称：

  Pyridone esters as inotropic agents

  摘要：

  描述了化合物的公式##STR1##其中R是氢，低烷基，卤素，氰基，羟基，氨基，低烷基氨基，--CH.sub.2 NH.sub.2，--CH.sub.2 OH或--COOR"; R'是氢，低环烷基或低烷基; R'是低烯基，低炔基，低环烷基，--(W).sub.n Y，其中W是直链或支链低烷基或低烯基，n为0到5，Y是Ar，低环烷基，低烯基，低炔基，--COOZ，其中Z是低烷基，##STR2##或NAB，其中A和B分别是低烷基，苯甲基或取代苯甲基，Ar是2,3或4-吡啶基，吡嗪基，嘧啶基，喹啉基，异喹啉基，菲噻嗪基，喹唑啉基，噻唑基，苯基，苄基，呋喃基，四氢呋喃基或噻吩基，未取代或取代低烷基，低烷氧基，卤素，氨基或--CF.sub.3 ; R"'是--COOR"，##STR3##，X是氧或氮;或其药学上可接受的盐，并且它们用于治疗心室肌收缩功能障碍。这些化合物表现出心脏强心活性。

  公开号：

  US04657919A1

文献信息

• Isoxazolopyridine ketone derivatives
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US03933823A1

  公开（公告）日：1976-01-20

  New isoxazolo[5,4-b]pyridine-5-ketones having the general formula ##SPC1## As well as their salts, are useful as central nervous system depressants. These compounds also increase the intracellular concentration of adenosine-3',5'-cyclic monophosphate.

  新的异唑啉并[5,4-b]吡啶-5-酮化合物，其一般式为##SPC1##以及它们的盐，可作为中枢神经系统抑制剂使用。这些化合物还能增加腺苷酸-3'，5'-环磷酸的细胞内浓度。
• Pyrimidine derivatives, method of manufacturing the same, and androgen
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US05420128A1

  公开（公告）日：1995-05-30

  The invention discloses a pyrimidien derivative expressed in Formula [I]: ##STR1## where R.sup.1 denotes a hydrogen atom or hydroxyl group, R.sup.2 denotes a hydrogen atom, lower alkoxycarbonyl group, lower alkoxy group, halogen atom, lower alkyl group, cycloalkyl group with 3 to 8 carbon atoms, lower alkoxycarbonyl lower alkyl group, carboxyl group, carboxy lower alkyl group, group: --CONHR.sup.6 (R.sup.6 represents a hydrogen atom, a phenyl group, which may possess halogen atom, or lower alkyl group), cyano group, phenyl group which may possess a group selected from the group consisting of hydroxyl group, halogen atom, lower alkyl group, lower alkoxy group and phenylthio group as a substituent, phenyl lower alkyl group which may possess a group selected from the group consisting of hydroxyl group and lower alkoxy group as a substituent on a phenyl ring, lower alkanoyloxy lower alkyl group, benzoyl group, lower alkanoyl group which may possess a halogen atom, or hydroxy lower alkyl group which may possess a group selected from the group consisting of phenyl group and halogen atom as a substituent, R.sup.3 denotes a hydrogen atom, hydroxyl group, lower alkyl group, cycloalkyl group with 3 to 8 carbon atoms, halogen lower alkyl group, or phenyl group, R.sup.4 denotes a hydrogen atom, lower alkyl group, or lower alkoxy group, and R.sup.5 denotes a hydrogen atom, lower alkyl group, lower alkoxy lower alkyl group, or halogen lower alkyl group; provided that R.sup.2 and R.sup.3 may be bonded to each other to form a lower alkylene group with 3 to 5 carbon atoms, or its pharmaceutically available salt. This derivative is excellent in therapeutic effects of benign prostatic hypertrophy, prostatic carcinoma, female hairiness, male baldness or pimple as an androgen inhibitor.

  本发明揭示了一种在式[I]中表示的嘧啶衍生物：##STR1##其中，R.sup.1表示氢原子或羟基，R.sup.2表示氢原子，较低的烷氧羰基基团、较低的烷氧基、卤原子、较低的烷基、具有3到8个碳原子的环烷基、较低的烷氧羰基较低的烷基、羧基、羧基较低的烷基、基团：--CONHR.sup.6（其中R.sup.6表示氢原子、苯基，可能带有卤原子，或较低的烷基），氰基，苯基，其可能带有从羟基、卤原子、较低的烷基、较低的烷氧基和苯基硫基等基团中选择的基团作为取代基，苯基较低的烷基，其可能带有从苯环上选择的羟基和较低的烷氧基作为取代基，较低的脂肪酰氧较低的烷基，苯甲酰基，可能带有卤原子或羟基较低的烷基，其可能带有从苯基和卤原子中选择的基团作为取代基，R.sup.3表示氢原子、羟基、较低的烷基、具有3到8个碳原子的环烷基、卤原子较低的烷基或苯基，R.sup.4表示氢原子、较低的烷基或较低的烷氧基，R.sup.5表示氢原子、较低的烷基、较低的烷氧较低的烷基或卤原子较低的烷基；前提是R.sup.2和R.sup.3可以连接以形成具有3到5个碳原子的较低的烷基，或其药学可用盐。该衍生物在雄激素抑制剂方面对良性前列腺肥大、前列腺癌、女性多毛症、男性脱发或痘痘的治疗效果优异。
• Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions
  申请人：The Dow Chemical Company

  公开号：US04954163A1

  公开（公告）日：1990-09-04

  Novel substituted triazolo[1,5-a]pyrimidine-2-sulfonamides, e.g., 5,7-dimethyl-N-(2,6-dichlorophenyl)-1,2,4-triazolo[1,5-a]pyrimidine-2-sulf onamide and their agriculturally acceptable salt are prepared. These compounds and compositions containing them are useful for the control of unwanted vegetation. Novel substituted triazolo[1,5-a]pyrimidine-2-sulfonyl chlorides and substituted anilines and their use as intermediates are also described.

  制备了新型的取代三唑并[1,5-a]嘧啶-2-磺酰胺，例如，5,7-二甲基-N-(2,6-二氯苯基)-1,2,4-三唑并[1,5-a]嘧啶-2-磺酰胺及其农业上可接受的盐。这些化合物和含有它们的组合物对于控制不良杂草是有用的。还描述了新型的取代三唑并[1,5-a]嘧啶-2-磺酰氯和取代苯胺及其用作中间体的用途。
• Pharmaceutical compounds
  申请人：Lilly Industries Limited

  公开号：US04983619A1

  公开（公告）日：1991-01-08

  Compounds of the following formula have pharmaceutical properties: ##STR1## in which X is R'(HO)C.dbd.C(CN)--, R.sup.1 (CO)--CH(CN)-- or ##STR2## R.sup.1 and R.sup.2 are each hydrogen or C.sub.1-6 alkyl, R.sup.3, R.sup.4, R.sup.5 and R.sup.6 are each hydrogen, hydroxy, halogen, nitro, cyano, carboxy, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, C.sub.1-4 alkylthio, halo-substituted C.sub.1-4 alkyl, halo-substituted C.sub.1-4 alkoxy, halo-substituted C.sub.1-4 alkylthio, C.sub.2-5 alkoxycarbonyl, optionally substituted phenyl, optionally substituted phenoxy, R'R"N-- where R' and R" are each hydrogen or C.sub.1-4 alkyl or R'"CONH-- where R'" is C.sub.1-4 alkyl, or a group of the formula --CR.sup.7 R.sup.8 R.sup.9 in which R.sup.7, R.sup.8 and R.sup.9 are each C.sub.1-6 alkyl, halo-substituted C.sub.1-6 alkyl or optionally substituted phenyl, or R.sup.7 and R.sup.8, together with the carbon atom to which they are attached, form a cycloalkyl group containing 3 to 7 carbon atoms, or R.sup.7, R.sup.8 and R.sup.9 together with the carbon atom to which they are attached, form a bicycloalkyl group containing 4 to 9 carbon atoms, and Y is a 5- or 6-membered heterocyclic ring excluding pyrazole; and salts thereof.

  以下化合物具有药物性质的公式为：##STR1## 其中X为R'(HO)C.dbd.C(CN)--，R.sup.1 (CO)--CH(CN)--或##STR2## R.sup.1和R.sup.2分别为氢或C.sub.1-6烷基，R.sup.3，R.sup.4，R.sup.5和R.sup.6分别为氢，羟基，卤素，硝基，氰基，羧基，C.sub.1-4烷基，C.sub.1-4烷氧基，C.sub.1-4烷基硫基，卤代C.sub.1-4烷基，卤代C.sub.1-4烷氧基，卤代C.sub.1-4烷基硫基，C.sub.2-5烷氧羰基，可选择性地取代的苯基，可选择性地取代的苯氧基，R'R"N--，其中R'和R"分别为氢或C.sub.1-4烷基，或R'"CONH--，其中R'"为C.sub.1-4烷基，或者为式--CR.sup.7 R.sup.8 R.sup.9的基团，其中R.sup.7，R.sup.8和R.sup.9分别为C.sub.1-6烷基，卤代C.sub.1-6烷基或可选择性取代的苯基，或者R.sup.7和R.sup.8与它们所连接的碳原子一起形成含3到7个碳原子的环烷基，或者R.sup.7，R.sup.8和R.sup.9与它们所连接的碳原子一起形成含4到9个碳原子的双环烷基，Y为一种5或6成员的杂环，不包括吡唑；以及其盐。
• Novel substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides and
  申请人：The Dow Chemical Company

  公开号：US04755212A1

  公开（公告）日：1988-07-05

  Novel compounds, e.g., 5,7-dimethyl-N-(2,6-dichlorolphenyl)-1,2,4-triazolo[1,5-a]pyrimidine-2-sul fonamide and their compositions and use in the control of weeds and in the suppression of nitrification of ammonium nitrogen in soil. Other novel compounds and their compositions and use in the inhibition of bolting in sugar beets. Other novel compounds and their compositions and use as plant gametocides.

  小说化合物，例如5,7-二甲基-N-(2,6-二氯苯基)-1,2,4-三唑[1,5-a]嘧啶-2-磺酰胺及其组合物，用于控制杂草和抑制土壤中铵态氮硝化。其他新化合物及其组合物用于抑制甜菜中的开花。其他新化合物及其组合物用作植物配子杀虫剂。