7-(4-methoxyphenyl)-7-oxoheptanal | 493046-15-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-(4-methoxyphenyl)-7-oxoheptanal
• 英文别名: 7-(4-Methoxyphenyl)-7-oxoheptanal
• CAS: 493046-15-4
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: PEKYIWQJZHNUBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  7-(4-methoxyphenyl)-7-oxoheptanal 在 1,5,7-三氮杂双环[4.4.0]癸-5-烯 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 (2-hydroxy-cyclohexyl)-(4-methoxy-phenyl)-methanone 、 (2-hydroxy-cyclohexyl)-(4-methoxy-phenyl)-methanone
  参考文献：
  名称：

  TBD 催化的酮醛直接 5-和 6-烯醇醛醇化

  摘要：

  用催化量的 1,5,7-三氮杂双环 [4.4.0]dec-5-ene 处理未官能化的无环酮醛诱导直接的分子内 5-和 6-烯醇醛醇缩合，提供 2-酮环戊醇和 2-酮环己醇到优秀的产量。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  DOI：

  10.1002/ejoc.200800539
• 作为产物：
  描述：

  1-(4-methoxyphenyl)cycloheptan-1-ol 在 2,6-二甲基吡啶 、 Ir[dF(CF₃)ppy]₂(5,5'-dCF₃bpy)PF₆ 作用下， 以 2,2,2-三氟乙醇 为溶剂， 反应 20.0h， 以61%的产率得到7-(4-methoxyphenyl)-7-oxoheptanal
  参考文献：
  名称：

  环烷醇的区域特异性烯丙基化/甲酰化的可见光介导的开环策略

  摘要：

  在这里，我们描述了一种直接有效的方法，用于使用可见光介导的开环策略将烯丙基的区域特异性引入环烷醇分子中。由可变环大小的1-芳基环烷醇前体提供了各种各样的远端烯丙基化或甲酰化的酮，为修饰复杂的天然产物提供了简洁实用的途径。初步的机理研究表明，关键的O中心自由基会介导顺序的环裂解和烯丙基化/甲酰化。

  DOI：

  10.1021/acs.joc.8b01225

文献信息

• Reductive Generation of Enolates from Enones Using Elemental Hydrogen:  Catalytic C−C Bond Formation under Hydrogenative Conditions
  作者：Hye-Young Jang、Ryan R. Huddleston、Michael J. Krische

  DOI：10.1021/ja021163l

  日期：2002.12.1

  the presence of a Rh(I) catalyst enables reductive enolate generation, as evidenced by electrophilic trapping of the enolate by appendant and exogenous aldehyde partners. The significance of these findings resides in the ability to regioselectivity generate and transform transition metal enolates under catalytic conditions that circumvent formation of stoichiometric byproducts.

  在 Rh(I) 催化剂的存在下，烯酮暴露于元素氢能够还原烯醇化物的生成，这可以通过附属物和外源性醛伙伴对烯醇化物的亲电捕获来证明。这些发现的重要性在于在催化条件下区域选择性生成和转化过渡金属烯醇化物的能力，从而避免了化学计量副产物的形成。
• 2-acylaminopropanol-type glucosylceramide synthase inhibitors
  申请人：Genzyme Corporation

  公开号：EP2594562A2

  公开（公告）日：2013-05-22

  A compound is represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating a subject in need thereof comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. The subject has type 2 diabetes; renal hypertrophy or hyperplasia associated with diabetic nephropathy; Tay-Sachs; Gaucher's or Fabry's disease. Methods of decreasing plasma TNF-α, lowering blood glucose levels, decreasing glycated hemoglobin levels, inhibiting glucosylceramide synthase, and lowering glycosphingolipid concentration in a subject in need thereof respectively comprise administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种化合物由结构式 (I) 代表：或其药学上可接受的盐。一种药物组合物包含由结构式（I）代表的化合物或其药学上可接受的盐。一种治疗有需要的受试者的方法，包括向受试者施用治疗有效量的结构式（I）所代表的化合物或其药学上可接受的盐。受试者患有 2 型糖尿病；与糖尿病肾病相关的肾肥大或增生；Tay-Sachs；Gaucher 或 Fabry 病。降低血浆TNF-α、降低血糖水平、降低糖化血红蛋白水平、抑制葡萄糖酰甘油酰胺合成酶和降低糖磷脂浓度的方法包括向有需要的受试者分别施用治疗有效量的由结构式(I)代表的化合物或其药学上可接受的盐。
• 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS
  申请人：Genzyme Corporation

  公开号：EP2167485B1

  公开（公告）日：2015-09-30
• GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE
  申请人：Genzyme Corporation

  公开号：EP2320886B1

  公开（公告）日：2017-06-28
• 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors
  申请人：Genzyme Corporation

  公开号：US20180093981A1

  公开（公告）日：2018-04-05

  A compound is represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating a subject in need thereof comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. The subject has type 2 diabetes; renal hypertrophy or hyperplasia associated with diabetic nephropathy; Tay-Sachs; Gaucher's; or Fabry's disease. Methods of decreasing plasma TNF-α, lowering blood glucose levels, decreasing glycated hemoglobin levels, inhibiting glucosylceramide synthase, and lowering glycosphingolipid concentrations in a subject in need thereof respectively comprise administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.