3-chloro-1-(1,2-methylenedioxybenzen-4-yl)-propanone | 84707-83-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 3-chloro-1-(1,2-methylenedioxybenzen-4-yl)-propanone
• 英文别名: 1-(1,3-benzodioxol-5-yl)-3-chloro-1-propanone；5-(3-Chloropropionyl)-1,3-benzodioxole；1-(1,3-Benzodioxol-5-yl)-3-chloropropan-1-one
• CAS: 84707-83-5
• 化学式: C₁₀H₉ClO₃
• 分子量: 212.633
• InChiKey: LVAXXJRNMOQLBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-1-(1,2-methylenedioxybenzen-4-yl)-propanone 在 氢氧化钾 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 7.0h， 生成 4-[3,4-(亚甲二氧基)苯基]-4-氧代丁酸
  参考文献：
  名称：

  Synthesis, anti-inflammatory activity and metabolism of alkyl aryl ketones and their derivatives

  摘要：

  DOI：

  10.1007/bf00764712
• 作为产物：
  描述：

  胡椒环 、 3-氯丙酰氯 在 四氯化锡 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以55%的产率得到3-chloro-1-(1,2-methylenedioxybenzen-4-yl)-propanone
  参考文献：
  名称：

  Synthesis and antiinflammatory activity of acylated benzoxa- and benzodioxaheterocycles and their acyclic analogs

  摘要：

  DOI：

  10.1007/bf00757487

文献信息

• Mn-Enabled Radical-Based Alkyl–Alkyl Cross-Coupling Reaction from 4-Alkyl-1,4-dihydropyridines
  作者：Jie Wang、Yu-Bo Pang、Na Tao、Run-Sheng Zeng、Yingsheng Zhao

  DOI：10.1021/acs.joc.9b02323

  日期：2019.12.6

  efficient alkylation of β-chloro ketones and their derivatives was achieved by means of domino dehydrochlorination/Mn-enabled radical-based alkyl-alkyl cross-coupling reaction. In situ-generated α,β-unsaturated ketones and their analogues were identified as the reaction intermediates. Known bioactive compounds, such as melperone and azaperone, could be easily prepared from β-chloropropiophenone in two

  β-氯酮及其衍生物的高效烷基化是通过多米诺脱氢/基于锰的自由基基烷基-烷基交叉偶联反应实现的。原位生成的α，β-不饱和酮及其类似物被确定为反应中间体。已知的生物活性化合物，例如美蓬酮和氮杂哌酮，可以很容易地由β-氯丙苯酮分两步制备。
• COMPOUNDS INHIBITING TDG ACTIVITY
  申请人：Epitas Biosciences (Shanghai) Co., Ltd.

  公开号：EP3971180A1

  公开（公告）日：2022-03-23

  The present invention provides a class of compounds inhibiting TDG activity. Specifically, the present invention provides a compound having a novel structure as shown in formula I. The small molecule inhibitor of the present invention has an excellent inhibitory effect on TDG.

  本发明提供了一类抑制TDG活性的化合物。具体来说，本发明提供了一种具有如公式I所示新结构的化合物。本发明的小分子抑制剂对TDG具有优异的抑制效果。
• ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS
  申请人：Li Jianqi

  公开号：US20130072488A1

  公开（公告）日：2013-03-21

  Aralkyl diamine derivative of the following formula, pharmaceutically acceptable salts or uses thereof as antidepressants. The derivatives have triplex inhibiting activities of the reuptake of 5-HT, dopamine and noradrenalin, which can be administered to the patients in need of such treatment in the form of compositions orally or injectedly et al.

  阿烷基二胺衍生物的结构如下，其药用可接受的盐或用途为抗抑郁药。这些衍生物具有三重抑制5-HT、多巴胺和去甲肾上腺素的再摄取活性，可以以口服或注射等形式给需要此类治疗的患者。
• Alkylenedioxybenzene and acid addition salts thereof useful as
  申请人：Mitsubishi Chemical Industries Limited

  公开号：US04684651A1

  公开（公告）日：1987-08-04

  Alkylenedioxybenzene derivatives are prepared and found to be useful as pharmaceutical agents, particularly as hypotensives.

  烷二醚苯衍生物被制备并发现可用作药物代理，特别是作为降压药。
• A Bipyridine‐Promoted Csp ³ −Csp ³ Coupling of <i>beta</i> ‐Chlorophenones
  作者：Bao Li、Junrui Wang、Jie Wang、Yingsheng Zhao

  DOI：10.1002/asia.202300030

  日期：——

  β-chlorophenone with alkanes using 2-(tert-butylperoxy)-2-methylpropane as the oxidant and 2,2′-bipyridine as the catalyst was reported. A variety of β-chloropropiophenones were tolerated, leading to the alkylated products in moderate to good yields. Preliminary mechanistic studies suggested that the in situ formed quaternary ammonium salt activated unsaturated ketone, leading to the alkyl-alkyl cross-coupling

  报道了使用2-(叔丁基过氧)-2-甲基丙烷作为氧化剂和2,2'-联吡啶作为催化剂的β-氯苯酮与烷烃的新型Csp 3 -Csp 3偶联反应。可以耐受多种β-氯代苯丙酮，导致烷基化产物的收率适中至良好。初步的机理研究表明，原位形成的季铵盐激活了不饱和酮，导致了烷基-烷基交叉偶联产物。