4-氧代-5-苯基戊酸甲酯 | 65248-38-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: 4-氧代-5-苯基戊酸甲酯
• 英文名称: 12-Hydroxy-9-oxo-dodecanoic acid
• 英文别名: 12-Hydroxy-9-oxododecanoic acid
• CAS: 65248-38-6
• 化学式: C₁₂H₂₂O₄
• 分子量: 230.304
• InChiKey: NJGNMCYYUGQJNO-UHFFFAOYSA-N

物化性质

• 沸点：
  425.4±30.0 °C(Predicted)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氧代-5-苯基戊酸甲酯 在 氢氧化钾 、 Py*HClCrO₃ 作用下， 生成 5-氧代环戊-1-烯-1-庚酸
  参考文献：
  名称：

  2-(6-CARBOXYHEXYL)CyclOPENT-2-EN-1-ONE 的新合成，一种前列腺素合成物

  摘要：

  描述了标题化合物 (1) 的新合成，它是合成各种前列腺素的有用中间体，它涉及酸催化的 9-环丙基-9-氧壬酸 (7) 的环丙烷重排作为关键步骤。环丙基酮7是由环丙基甲基酮通过三个步骤制备的。

  DOI：

  10.1246/cl.1977.1121
• 作为产物：
  描述：

  2-Cyclopropanecarbonyl-nonanedioic acid diethyl ester 在 barium dihydroxide 作用下， 反应 8.0h， 生成 4-氧代-5-苯基戊酸甲酯
  参考文献：
  名称：

  2-(6-CARBOXYHEXYL)CyclOPENT-2-EN-1-ONE 的新合成，一种前列腺素合成物

  摘要：

  描述了标题化合物 (1) 的新合成，它是合成各种前列腺素的有用中间体，它涉及酸催化的 9-环丙基-9-氧壬酸 (7) 的环丙烷重排作为关键步骤。环丙基酮7是由环丙基甲基酮通过三个步骤制备的。

  DOI：

  10.1246/cl.1977.1121

文献信息

• Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids
  申请人：——

  公开号：US20030055105A1

  公开（公告）日：2003-03-20

  The present invention relates to drugs and, particularly, to anticancer agents. More particularly, the present invention relates to an anticancer agents containing, as an active ingredient, at least one compound selected from the group consisting of &ohgr;-hydroxy fatty acids and salts or esters thereof, hydroxy oxo-fatty acids and salts or esters thereof, lactones, macrocyclic ketones, and macrocyclic diesters having specific chemical structures. With respect to the compounds described above used in the present invention, since the activities of killing cancer and inhibiting cancer metastasis are significantly high, the effects of preventing the recurrence of cancer and preventing cancer are exhibited, the cytotoxicity is significantly low, and a small dose is effective, it is possible to provide anticancer agents having significantly decreased side effects. Additionally, use in combination with known antitumor agents can further enhance the activity of inhibiting cancer metastasis. Among the anticancer agents of the present invention, &ohgr;-hydroxy fatty acids can be easily obtained in high purities by hydrolyzing lactones which are also the anticancer agents of the present invention.

  本发明涉及药物，特别是抗癌剂。更具体地说，本发明涉及一种抗癌剂，其含有至少一种从以下化合物组合中选择的活性成分，包括ω-羟基脂肪酸及其盐或酯、羟基酮脂肪酸及其盐或酯、内酯、大环酮和具有特定化学结构的大环二酯。对于本发明中所述的上述化合物，由于其杀灭癌细胞和抑制癌转移的活性显著高，具有预防癌症复发和预防癌症的效果，细胞毒性显著低，且小剂量就能发挥作用，因此能够提供具有显著降低副作用的抗癌剂。此外，与已知的抗肿瘤药物结合使用可以进一步增强抑制癌转移的活性。在本发明的抗癌剂中，ω-羟基脂肪酸可以通过水解也是本发明的抗癌剂的内酯轻松获得高纯度。
• ANTICANCER AGENTS, PERFUMES OR FOODS AND DRINKS CONTAINING $g(v)-HYDROXYFATTY ACIDS
  申请人：SODA AROMATIC COMPANY, LIMITED

  公开号：EP1249236A1

  公开（公告）日：2002-10-16

  The present invention relates to drugs and, particularly, to anticancer agents. More particularly, the present invention relates to an anticancer agents containing, as an active ingredient, at least one compound selected from the group consisting of ω-hydroxy fatty acids and salts or esters thereof, hydroxy oxo-fatty acids and salts or esters thereof, lactones, macrocyclic ketones, and macrocyclic diesters having specific chemical structures. With respect to the compounds described above used in the present invention, since the activities of killing cancer and inhibiting cancer metastasis are significantly high, the effects of preventing the recurrence of cancer and preventing cancer are exhibited, the cytotoxicity is significantly low, and a small dose is effective, it is possible to provide anticancer agents having significantly decreased side effects. Additionally, use in combination with known antitumor agents can further enhance the activity of inhibiting cancer metastasis. Among the anticancer agents of the present invention, ω-hydroxy fatty acids can be easily obtained in high purities by hydrolyzing lactones which are also the anticancer agents of the present invention.

  本发明涉及药物，特别是抗癌剂。 更具体地说，本发明涉及一种抗癌剂，其中含有至少一种选自具有特定化学结构的ω-羟基脂肪酸及其盐或酯、羟基氧代脂肪酸及其盐或酯、内酯、大环酮和大环二酯组成的组的化合物作为活性成分。 对于本发明中使用的上述化合物，由于杀灭癌症和抑制癌症转移的活性显著较高，具有防止癌症复发和预防癌症的效果，细胞毒性显著较低，且小剂量即可有效，因此可以提供副作用显著降低的抗癌剂。此外，与已知的抗肿瘤药物联合使用可进一步提高抑制癌症转移的活性。在本发明的抗癌剂中，ω-羟基脂肪酸很容易通过水解内酯得到高纯度的ω-羟基脂肪酸，这些内酯也是本发明的抗癌剂。
• US6639089B2
  申请人：——

  公开号：US6639089B2

  公开（公告）日：2003-10-28
• A NEW SYNTHESIS OF 2-(6-CARBOXYHEXYL)CYCLOPENT-2-EN-1-ONE, A PROSTANOID SYNTHON
  作者：Eiji Wada、Takeshi Nakai、Makoto Okawara

  DOI：10.1246/cl.1977.1121

  日期：1977.9.5

  A new synthesis of the title compound (1), an useful intermediate in the synthesis of various prostanoids, is described which involves the acid-catalyzed cyclopropane rearrangement of 9-cyclopropyl-9-oxononanoic acid (7) as a key step. The cyclopropyl ketone 7 was prepared via the three steps from cyclopropyl methyl ketone.

  描述了标题化合物 (1) 的新合成，它是合成各种前列腺素的有用中间体，它涉及酸催化的 9-环丙基-9-氧壬酸 (7) 的环丙烷重排作为关键步骤。环丙基酮7是由环丙基甲基酮通过三个步骤制备的。