5-(1,3-benzodioxolan-5-yl)pentan-2-one | 75787-95-0

• 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: 5-(1,3-benzodioxolan-5-yl)pentan-2-one
• 英文别名: 5-(1,3-Benzodioxolan-5-yl)pentan-2-on；5-(1,3-benzodioxol-5-yl)pentan-2-one
• CAS: 75787-95-0
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: NHFCIHGSCLAQQY-UHFFFAOYSA-N

物化性质

• 熔点：
  42-45 °C
• 沸点：
  122-125 °C
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  5-(1,3-benzodioxolan-5-yl)pentan-2-one 在 盐酸羟胺 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 5-[3-(1,3-benzodioxolan-5-yl)propyl]isoxazole-3-carboxylic acid
  参考文献：
  名称：

  Amide compound, an arthropod pest control agent and a method for controlling arthropod pest

  摘要：

  公开号：

  EP2952096B1
• 作为产物：
  描述：

  5-(6-Bromo-benzo[1,3]dioxol-5-yl)-pentan-2-one 以4%的产率得到
  参考文献：
  名称：

  SEMMELHACK M. F.; BARGAR T., J. AMER. CHEM. SOC., 1980, 102, NO 26, 7765-7774

  摘要：

  DOI：

文献信息

• Aerobic Oxidative Dehydrogenation of Ketones to 1,4-Enediones
  作者：Bao-Yin Zhao、Xing-Long Zhang、Rui-Li Guo、Meng-Yue Wang、Ya-Ru Gao、Yong-Qiang Wang

  DOI：10.1021/acs.orglett.0c04174

  日期：2021.2.19

  An efficient and unprecedented strategy for the synthesis of 1,4-enediones from saturated ketones has been developed via palladium-catalyzed oxidative dehydrogenation. The protocol employs molecular oxygen as the sole oxidant and represents an atom- and step-economic process. The approach showed broad substrate scope, good functional group tolerance, and complete E-stereoselectivity. The reaction mechanism

  通过钯催化的氧化脱氢，已经开发出一种有效且空前的从饱和酮合成1,4-二烯酮的策略。该协议采用分子氧作为唯一的氧化剂，代表了原子经济和逐步经济的过程。该方法显示出广泛的底物范围，良好的官能团耐受性和完全的E-立体选择性。通过氘标记实验和中间实验研究了反应机理。
• METHOD FOR CONTROLLING ARTHROPOD PEST
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150344466A1

  公开（公告）日：2015-12-03

  An amide compound represented by formula (I): [wherein A represents a 3- to 7-membered saturated heterocyclic ring which contains, as ring-forming component(s), one or more atoms or groups selected from the group consisting of an oxygen atom and —S(O) t —, t represents 0, etc., R 1 and R 2 are the same or different and represent a hydrogen atom, etc., n represents 0, etc., the following formula (II): represents a 5-membered aromatic ring, in which Z represents a nitrogen atom or a carbon atom and X 1 , X 2 and X 3 are the same or different and represent a nitrogen atom, etc., R 3 and R 4 are the same or different and represent a hydrogen atom, etc., m represents 0 to 2, Q represents one group selected from group A or a C1 to C8 chain hydrocarbon group optionally having one group selected from group A, Y represents an oxygen atom, etc., u represents 0, etc., and v represents 0, etc.] has excellent arthropod pest controlling effects.

  化合物式(I)所代表的酰胺化合物：[其中A代表一个3到7个成员的饱和杂环环，该环包含作为环构成组分之一或多个原子或基团，所选自氧原子和—S（O）t—群，t代表0等；R1和R2相同或不同，代表氢原子等；n代表0等；下列式子(II)代表一个5个成员的芳香环，在该环中Z代表一个氮原子或一个碳原子，X1、X2和X3相同或不同，代表氮原子等，R3和R4相同或不同，代表氢原子等，m代表0到2，Q代表从群A中选择的一个群或一个C1到C8链烃基团，该基团可以选择从群A中选择的一个群，Y代表氧原子等，u代表0等，v代表0等]具有优良的节肢动物害虫控制效果。
• Systems and methods for pesticide detection using mass spectroscopy
  申请人：PerkinElmer Health Sciences, Inc.

  公开号：US10914713B2

  公开（公告）日：2021-02-09

  This disclosure provides quantitative, rapid, and reliable LC-MS/MS methods for analyzing panels of pesticides and mycotoxins in various samples, including very hydrophobic and chlorinated compounds normally analyzed on a GC-MS/MS system. The methods can be carried out using a single instrument and can detect and quantify levels of the pesticides and mycotoxins that are well below action limits specified by U.S. states (e.g., California) and other countries (e.g., Canada) for these compounds in cannabis products.

  本公开提供了定量、快速和可靠的 LC-MS/MS 方法，用于分析各种样品中的农药和霉菌毒素，包括通常在 GC-MS/MS 系统中分析的疏水性和氯化化合物。这些方法只需一台仪器即可完成，其检测和定量水平远远低于美国各州（如加利福尼亚州）和其他国家（如加拿大）针对大麻产品中这些化合物规定的行动限值。
• Photostimulated nucleophilic aromatic substitution for halides with carbon nucleophiles. Preparative and mechanistic aspects
  作者：M. F. Semmelhack、Thomas Bargar

  DOI：10.1021/ja00546a021

  日期：1980.12
• Systems and Methods for Pesticide Detection
  申请人：PerkinElmer Health Sciences, Inc.

  公开号：US20190227041A1

  公开（公告）日：2019-07-25

  This disclosure provides quantitative, rapid, and reliable LC-MS/MS methods for analyzing panels of pesticides and mycotoxins in various samples, including very hydrophobic and chlorinated compounds normally analyzed on a GC-MS/MS system. The methods can be carried out using a single instrument and can detect and quantify levels of the pesticides and mycotoxins that are well below action limits specified by U.S. states (e.g., California) and other countries (e.g., Canada) for these compounds in cannabis products.