4-Oxoundecansaeure-ethylester | 22769-72-8

• 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: 4-Oxoundecansaeure-ethylester
• 英文别名: ethyl 4-oxoundecanoate；4-oxo-undecanoic acid ethyl ester；4-Oxo-undecansaeure-aethylester；4-Oxo-undecansaeure-ethylester；Undecanoic acid, 4-oxo-, ethyl ester
• CAS: 22769-72-8
• 化学式: C₁₃H₂₄O₃
• 分子量: 228.332
• InChiKey: CHSBCKALCTYLSO-UHFFFAOYSA-N

物化性质

• 沸点：
  138-139 °C(Press: 5 Torr)
• 密度：
  0.9419 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Oxoundecansaeure-ethylester 在 氢氧化钾 、 sodium tetrahydroborate 作用下， 生成 4-羟基十一烷酸
  参考文献：
  名称：

  Voaden, Denys J., Synthetic Communications, 1984, vol. 14, # 1, p. 53 - 64

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 Pd-BaSO₄ 、 乙醇 作用下， 生成 4-Oxoundecansaeure-ethylester
  参考文献：
  名称：

  Ernest; Jelinkova, Collection of Czechoslovak Chemical Communications, 1959, vol. 24, p. 3341,3345

  摘要：

  DOI：

文献信息

• Generation of 2-Carboethoxyethylzinc iodide and 3-carboethoxypropylzinc iodide and their application to the synthesis of γ- and δ-keto esters
  作者：Yoshinao Tamaru、Hirofumi Ochiai、Tatsuya Nakamura、Kazunori Tsubaki、Zen-ichi Yoshida

  DOI：10.1016/s0040-4039(01)80887-x

  日期：——

  generated by the reaction of the corresponding iodoesters with Zn-Cu couple and utilized for the palladium catalyzed coupling reaction with acid chloride to quantitatively provide gamma- and delta- keto esters, respectively.

  通过相应的碘代酯与Zn-Cu对的反应生成2-羰基乙氧基乙基碘化锌和3-羰基乙氧基丙基碘化锌，并用于钯与酰氯的偶合反应，从而分别定量地提供γ-和δ-酮酸酯。
• Hydroacylation of Alkyl Vinyl Ketones and Acrylic Esters Using Organotetracarbonylferrates. Synthesis of 1,4-Dicarbonyl Compounds
  作者：Masakazu Yamashita、Haruyoshi Tashika、Masaya Uchida

  DOI：10.1246/bcsj.65.1257

  日期：1992.5

  Alkyl vinyl ketones and acrylic esters were hydroacylated with organotetracarbonylferrates to the corresponding 1,4-diketones and 4-oxo carboxylic acid derivatives in good yield in dipolar aprotic solvents such as N,N-dimethylacetamide. Addition of 18-crown-6 improved the yield. cis-Jasmone and γ-jasmolactone were synthesized by use of these reactions.

  烷基乙烯基酮和丙烯酸酯在偶极非质子溶剂（如 N，N-二甲基乙酰胺）中用有机四羰基高铁酸盐氢化酰化为相应的 1,4-二酮和 4-氧代羧酸衍生物。添加 18-crown-6 提高了产量。利用这些反应合成了顺式茉莉酮和γ-茉莉酸内酯。
• Synthesis and antimicrobial activity of 5-alkyl-1-(3-oxobutyl)pyrrolidin-2-ones and their 2,4-dinitrophenylhydrazones
  作者：A. A. Safonova、V. A. Sedavkina

  DOI：10.1007/bf02333889

  日期：1996.10

  us to obtain 2-pyrrolidones with oxo and cyano groups in the substituent at the nitrogen atom, because the reduction amination process was accompanied by hydrogenation of these functional groups. Introduction of an oxoalkyl substituent at the nitrogen atom of pyrrolidin-2-ones offers the possibility to modify their structures by reactions involving the oxo group, which leads to the synthesis of new

  以前，我们开发了一种方法来获得在第二个氮原子的取代基中含有各种官能团的 2 吡咯烷酮。该过程本质上是通过除伯氨基之外还含有所需官能团的特殊试剂对 y-酮羧酸酯进行催化还原胺化。使用这种方法，我们已经合成了含有各种片段的 N 取代 2-吡咯烷酮，例如 (CH2)2OH、(CH2)2NHZ、CH2COOC2H 5、CH2COONH2 等 [1 4]。然而，这种方法不允许我们获得在氮原子取代基中具有氧代和氰基的 2-吡咯烷酮，因为还原胺化过程伴随着这些官能团的氢化。在 pyrrolidin-2-ones 的氮原子上引入氧代烷基取代基提供了通过涉及氧代基团的反应来修改其结构的可能性，这导致合成新的生物活性化合物。为了获得取代基中带有氰基和氧代基团的吡咯烷-2-酮，我们使用了未取代氮的 2-吡咯烷酮与 α,13-不饱和腈或酮之间的反应。早先 [5] 我们已经报道了 5-烷基-2-吡咯烷酮的氰乙基化反
• [EN] THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE<br/>[FR] COMPOSÉS THÉRAPEUTIQUES ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：SPROTT KEVIN

  公开号：WO2013103993A1

  公开（公告）日：2013-07-11

  Salinomycin analogs and pharmaceutically acceptable compositions containing salinomycin analogs. Dosage forms and kits comprising salinomycin analogs and pharmaceutically acceptable compositions containing salinomycin analogs. Methods of using salinomycin analogs, pharmaceutically acceptable compositions, dosage forms, and kits for the treatment of proliferative diseases, e.g., cancer, or microbial infections in a subject

  萨利诺霉素类似物及含有萨利诺霉素类似物的药物可接受组成物。包含萨利诺霉素类似物的剂型和套件以及含有萨利诺霉素类似物的药物可接受组成物。使用萨利诺霉素类似物，药物可接受组成物，剂型和套件的方法，用于治疗增生性疾病，如癌症，或受体内微生物感染。
• [EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSES HETEROCYCLIQUES ET PROCEDES D'UTILISATION DE CEUX-CI
  申请人：MERCK & CO INC

  公开号：WO2001016121A1

  公开（公告）日：2001-03-08

  In accordance with the present invention, there are provided novel class of heterocyclic compounds and methods of use thereof. Compounds of the invention contain a substituted, unsaturated five, six or seven membered heterocyclic ring that includes at least one nitrogen atom and at least one carbon atom. At a ring position adjacent to a ring nitrogen atom, the heterocyclic ring has at least one substituent which includes a moiety, linked to the heterocyclic ring via an alkylene moiety, an alkynylene moiety or an azo group. Invention compounds are capable of a wide variety of uses including modulating physiological processes by functioning as agonists and antagonists of receptors in the nervous system, as insecticides, and as fungicides. The invention further provides methods of modulating the activity of excitatory amino acid receptors using a specifically defined class of heterocyclic compounds including the novel compounds referred to above. In one embodiment, there are provided methods of modulating metabotropic glutamate receptors. The present invention also discloses methods of treating disease using heterocyclic compounds. The invention further discloses methods of preventing disease conditions related to diseases of the pulmonary system, diseases of the nervous system, diseases of the cardiovascular system, diseases of the gastrointestinal system, diseases of the endocrine system, diseases of the exocrine system, diseases of the skin, cancer and diseases of the ophthalmic system. The invention also discloses pharmaceutically acceptable salt forms of the above-described heterocyclic compounds.

  根据本发明，提供了一类新型的杂环化合物及其使用方法。该发明的化合物包含一个取代的、不饱和的五、六或七元杂环环，其中至少包含一个氮原子和至少一个碳原子。在靠近环氮原子的环位置上，杂环环有至少一个取代基，包括一个官能团，通过烷基官能团、炔基官能团或偶氮基团连接到杂环环上。发明的化合物能够广泛应用，包括通过作为神经系统受体的激动剂和拮抗剂来调节生理过程，作为杀虫剂和杀菌剂。本发明还提供了使用特定定义的杂环化合物类来调节兴奋性氨基酸受体活性的方法，包括上述新型化合物。在一种实施例中，提供了调节代谢性谷氨酸受体的方法。本发明还揭示了使用杂环化合物治疗疾病的方法。本发明还揭示了预防与肺系统疾病、神经系统疾病、心血管系统疾病、胃肠系统疾病、内分泌系统疾病、外分泌系统疾病、皮肤疾病、癌症和眼科系统疾病相关的疾病状态的方法。本发明还揭示了上述杂环化合物的药物可接受的盐形式。