1-(2-Carboxy-phenyl)-butanon-(2) | 26477-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-Carboxy-phenyl)-butanon-(2)
• 英文别名: 2-Propionylmethylbenzoesaeure；2-(2-Oxobutyl)benzoic acid
• CAS: 26477-58-7
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: UVNRZBHATXEXMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-Carboxy-phenyl)-butanon-(2) 在 镍 一水合肼 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 3-Ethylisocarbostyril
  参考文献：
  名称：

  Datta, Debashish; Usgaonkar, R. N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 5, p. 376 - 379

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2-Oxo-butyl)-benzoic acid methyl ester 生成 1-(2-Carboxy-phenyl)-butanon-(2)
  参考文献：
  名称：

  Huisgen,R.; Rauenbusch,E., Justus Liebigs Annalen der Chemie, 1961, vol. 641, p. 51 - 62

  摘要：

  DOI：

文献信息

• Agents and crystals for improving excretory potency of urinary bladder
  申请人：Ishihara Yuji

  公开号：US20090264467A1

  公开（公告）日：2009-10-22

  Agents for improving potency of the urinary bladder which comprise an amine compound of non-carbamate-type having an acetylcholinesterase-inhibiting action. Particularly, crystals of a tricyclic, condensed, heterocyclic derivative are provided, which possess an excellent action to inhibit acetylcholinesterase and an action to improve the excretory potency of the urinary bladder. As an example, crystals of 8-[3-[1-[(3-fluorophenyl)-methyl]-4-piperidinyl]-1-oxopropyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one or a salt thereof and pharmaceutical compositions containing them are disclosed.

  提高膀胱功能的药物，包括一种非卡巴酯类胺化合物，具有乙酰胆碱酯酶抑制作用。具体而言，提供了一种三环、紧缩、杂环衍生物的晶体，其具有优异的抑制乙酰胆碱酯酶的作用和改善膀胱排泄功能的作用。例如，披露了8-[3-[1-[(3-氟苯基)-甲基]-4-哌啶基]-1-氧代丙基]-1,2,5,6-四氢-4H-吡咯并[3,2,1-ij]喹啉-4-酮或其盐以及含有它们的制药组合物。
• Oxidative rearrangement of 1,1-disubstituted alkenes to ketones
  作者：Qiang Feng、Qian Wang、Jieping Zhu

  DOI：10.1126/science.adg3182

  日期：2023.3.31

  to the ring expansion of highly strained methylene cyclobutane derivatives. Herein, we report a solution to this synthetic challenge by designing a Pd II /Pd IV catalytic cycle incorporating a 1,2-alkyl/Pd IV dyotropic rearrangement as a key step. This reaction, compatible with a broad range of functional groups, is applicable to both linear olefins and methylene cycloalkanes, including macrocycles.

  广泛用于将单取代烯烃转化为相应甲基酮的 Wacker 工艺被认为是通过 Pd二/钯0涉及β-氢化物消除步骤的催化循环。这种机制场景不适用于从 1,1-二取代烯烃合成酮。目前的方法基于半-Pd 的频哪醇重排二中间体仅限于高应变亚甲基环丁烷衍生物的环扩展。在此，我们报告了通过设计 Pd 来应对这一综合挑战的解决方案二/钯四、包含 1,2-烷基/Pd 的催化循环四、促变性重排作为关键步骤。该反应与广泛的官能团相容，适用于直链烯烃和亚甲基环烷烃，包括大环化合物。区域选择性有利于更多取代碳的迁移，并且还观察到 β-羧基的强烈定向作用。
• Preventive/remedy for urinary disturbance
  申请人：Doi Takayuki

  公开号：US20070021391A1

  公开（公告）日：2007-01-25

  It is intended to provide a preventive/remedy for urinary disturbance containing a compound, which shows an acetylcholine esterase inhibitory activity but substantially has no butyrylcholine esterase inhibitory activity, showing no side effect and being safe and efficacious without inhibiting the urine collection function; a preventive/remedy for dry mouth induced by the administration of a remedy for urinary disturbance and a preventive or remedy for hyperactive bladder not accompanied by dry mouth; and a method of screening a substance preventing/treating urinary disturbance without inhibiting the urine collection function characterized by comprising measuring and comparing the acetylcholine esterase inhibitory activity and the butyrylcholine esterase inhibitory activity of a test compound.
• US8252814B2
  申请人：——

  公开号：US8252814B2

  公开（公告）日：2012-08-28
• Huisgen,R.; Rauenbusch,E., Justus Liebigs Annalen der Chemie, 1961, vol. 641, p. 51 - 62
  作者：Huisgen,R.、Rauenbusch,E.

  DOI：——

  日期：——