2-bromo-2-methyl-1-(thiophen-3-yl)propan-1-one | 503472-46-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-2-methyl-1-(thiophen-3-yl)propan-1-one
• 英文别名: 2-Bromo-2-(3-thenoyl)propane；2-bromo-2-methyl-1-thiophen-3-ylpropan-1-one
• CAS: 503472-46-6
• 化学式: C₈H₉BrOS
• 分子量: 233.129
• InChiKey: ANOCCRKTZLPQSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-2-methyl-1-(thiophen-3-yl)propan-1-one 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成 2-azido-2-(3-thenoyl) propane
  参考文献：
  名称：

  EP1428817

  摘要：

  公开号：
• 作为产物：
  描述：

  2-methyl-1-(thiophen-3-yl)propan-1-one 在 溶剂黄146 、 pyridinium hydrobromide perbromide 作用下， 反应 12.0h， 以97%的产率得到2-bromo-2-methyl-1-(thiophen-3-yl)propan-1-one
  参考文献：
  名称：

  可见光光氧化还原催化诱导的苯胺衍生物分子间CH键季烷基化反应

  摘要：

  用可见光催化方法报道了苯胺衍生物与α-溴代酮的分子间直接CH烷基化反应，以建立一个季碳中心。该反应以良好或优异的产率覆盖了各种官能团。观察到有利于胺基邻位的区域选择性，并用Fukui指数和光谱法研究。

  DOI：

  10.1021/acs.orglett.6b02179

文献信息

• Intermolecular C–H Quaternary Alkylation of Aniline Derivatives Induced by Visible-Light Photoredox Catalysis
  作者：Jie Cheng、Xia Deng、Guoqiang Wang、Ying Li、Xu Cheng、Guigen Li

  DOI：10.1021/acs.orglett.6b02179

  日期：2016.9.16

  The intermolecular direct C–H alkylation of aniline derivatives with α-bromo ketones to build a quaternary carbon center was reported with a visible-light catalysis procedure. The reaction covers a variety of functional groups with good to excellent yields. A regioselectivity favoring the ortho position for the amine group was observed and investigated with Fukui indices and spectral methods.

  用可见光催化方法报道了苯胺衍生物与α-溴代酮的分子间直接CH烷基化反应，以建立一个季碳中心。该反应以良好或优异的产率覆盖了各种官能团。观察到有利于胺基邻位的区域选择性，并用Fukui指数和光谱法研究。
• Acid amide derivatives, process for producing these, and pest agent containing these
  申请人：——

  公开号：US20040254237A1

  公开（公告）日：2004-12-16

  The present invention relates to an acid amid derivative of the formula (I) or a salt thereof: 1 wherein A is phenyl which may be substituted by X, benzyl which may be substituted by X, naphthyl which may be substituted by X, a heterocyclic group which may be substituted by X, a fused heterocyclic group which may be substituted by X, indanyl (the indanyl may be substituted by halogen, alkyl or alkoxy) or tetrahydronaphthyl (the tetrahydronaphthyl may be substituted by halogen, alkyl or alkoxy), B is alkyl, cycloalkyl, phenyl which may be substituted by Y, a heterocyclic group which may be substituted by Y, or a condensed heterocyclic group which may be substituted by Y, each of R 1 and R 2 is alkyl, cyano or —CO 2 R 14 , or R 1 and R 2 may together form a 3- to 6-membered saturated carbocyclic ring, R 3 is hydrogen, alkyl, alkoxyalkyl, alkylthioalkyl, —COR 15 , —S(O)mR 16 or —S(O)nNR 17 R 18 , which is useful as an active ingredient of pesticides.

  本发明涉及一种式（I）的酸酰衍生物或其盐： 其中，A为苯基，其可以被X取代，苄基，其可以被X取代，萘基，其可以被X取代，杂环基，其可以被X取代，融合杂环基，其可以被X取代，茚基（该茚基可以被卤素，烷基或烷氧基取代）或四氢萘基（该四氢萘基可以被卤素，烷基或烷氧基取代），B为烷基，环烷基，苯基，其可以被Y取代，杂环基，其可以被Y取代，或融合杂环基，其可以被Y取代，R1和R2均为烷基，氰基或—CO2R14，或R1和R2可以共同形成3-6个成员的饱和碳环，R3为氢，烷基，烷氧基烷基，烷硫基烷基，—COR15，—S（O）mR16或—S（O）nNR17R18，该化合物作为杀虫剂的活性成分具有应用价值。
• ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM
  申请人：NAKAMURA Yuji

  公开号：US20100093707A1

  公开（公告）日：2010-04-15

  The present invention relates to an acid amid derivative of the formula (I) or a salt thereof: wherein A is phenyl which may be substituted by X, benzyl which may be substituted by X, naphthyl which may be substituted by X, a heterocyclic group which may be substituted by X, a fused heterocyclic group which may be substituted by X, indanyl (the indanyl may be substituted by halogen, alkyl or alkoxy) or tetrahydronaphthyl (the tetrahydronaphthyl may be substituted by halogen, alkyl or alkoxy), B is alkyl, cycloalkyl, phenyl which may be substituted by Y, a heterocyclic group which may be substituted by Y, or a condensed heterocyclic group which may be substituted by Y, each of R 1 and R 2 is alkyl, cyano or —CO 2 R 14 , or R 1 and R 2 may together form a 3- to 6-membered saturated carbocyclic ring, R 3 is hydrogen, alkyl, alkoxyalkyl, alkylthioalkyl, —COR 15 , —S(O)mR 16 or —S(O)nNR 17 R 18 , which is useful as an active ingredient of pesticides.

  本发明涉及式(I)的酸酰胺衍生物或其盐：其中A是苯基，可能被X取代，苄基，可能被X取代，萘基，可能被X取代，杂环基，可能被X取代，融合的杂环基，可能被X取代，茚基（茚基可以被卤素，烷基或烷氧基取代）或四氢萘基（四氢萘基可以被卤素，烷基或烷氧基取代），B是烷基，环烷基，苯基，可能被Y取代的杂环基，或可能被Y取代的融合的杂环基，R1和R2各自是烷基、氰基或-CO2R14，或R1和R2可以共同形成一个3-至6-成员的饱和碳环，R3是氢、烷基、烷氧基烷基、烷硫基烷基、-COR15、-S（O）mR16或-S（O）nNR17R18，作为杀虫剂的有效成分。
• Acid amide derivatives, process for their production and pesticides containing them
  申请人：Ishihara Sangyo Kaisha, Ltd.

  公开号：US08093241B2

  公开（公告）日：2012-01-10

  The present invention relates to an acid amid derivative of the formula (I) or a salt thereof: wherein A is phenyl which may be substituted by X, benzyl which may be substituted by X, naphthyl which may be substituted by X, a heterocyclic group which may be substituted by X, a fused heterocyclic group which may be substituted by X, indanyl (the indanyl may be substituted by halogen, alkyl or alkoxy) or tetrahydronaphthyl (the tetrahydronaphthyl may be substituted by halogen, alkyl or alkoxy), B is alkyl, cycloalkyl, phenyl which may be substituted by Y, a heterocyclic group which may be substituted by Y, or a condensed heterocyclic group which may be substituted by Y, each of R1 and R2 is alkyl, cyano or —CO2R14, or R1 and R2 may together form a 3- to 6-membered saturated carbocyclic ring, R3 is hydrogen, alkyl, alkoxyalkyl, alkylthioalkyl, —COR15, —S(O)mR16 or —S(O)nNR17R18, which is useful as an active ingredient of pesticides.

  本发明涉及公式（I）的酸酰胺衍生物或其盐：其中A是苯基，可能被X取代，苄基，可能被X取代，萘基，可能被X取代，杂环基，可能被X取代，融合的杂环基，可能被X取代，茚基（茚基可能被卤素，烷基或烷氧基取代）或四氢萘基（四氢萘基可能被卤素，烷基或烷氧基取代），B是烷基，环烷基，苯基，可能被Y取代的杂环基或可能被Y取代的紧缩杂环基，R1和R2中的每一个是烷基，氰基或-CO2R14，或R1和R2可以共同形成3-至6-成员饱和碳环，R3是氢，烷基，烷氧基烷基，烷硫基烷基，-COR15，-S（O）mR16或-S（O）nNR17R18，其作为杀虫剂的活性成分。
• Acid amide derivatives, process for producing these, and pest control agent containing these
  申请人：Ishihara Sangyo Kaisha, Ltd.

  公开号：US07683096B2

  公开（公告）日：2010-03-23

  The present invention relates to an acid amid derivative of the formula (I) or a salt thereof: wherein A is phenyl which may be substituted by X, benzyl which may be substituted by X, naphthyl which may be substituted by X, a heterocyclic group which may be substituted by X, a fused heterocyclic group which may be substituted by X, indanyl (the indanyl may be substituted by halogen, alkyl or alkoxy) or tetrahydronaphthyl (the tetrahydronaphthyl may be substituted by halogen, alkyl or alkoxy), B is alkyl, cycloalkyl, phenyl which may be substituted by Y, a heterocyclic group which may be substituted by Y, or a condensed heterocyclic group which may be substituted by Y, each of R1 and R2 is alkyl, cyano or —CO2R14, or R1 and R2 may together form a 3- to 6-membered saturated carbocyclic ring, R3 is hydrogen, alkyl, alkoxyalkyl, alkylthioalkyl, —COR15, —S(O)mR16 or —S(O)nNR17R18, which is useful as an active ingredient of pesticides.

  本发明涉及公式(I)的酸酰衍生物或其盐：其中A是苯基，可能被X取代，苄基，可能被X取代，萘基，可能被X取代，杂环基，可能被X取代，融合的杂环基，可能被X取代，茚基（茚基可能被卤素，烷基或烷氧基取代）或四氢萘基（四氢萘基可能被卤素，烷基或烷氧基取代），B是烷基，环烷基，苯基，可能被Y取代的杂环基，或可能被Y取代的紧缩杂环基，R1和R2各自是烷基，氰基或-CO2R14，或R1和R2可以共同形成3-至6-成员的饱和碳环，R3是氢，烷基，烷氧基烷基，烷硫基烷基，-COR15，-S（O）mR16或-S（O）nNR17R18，其作为杀虫剂的活性成分具有用途。