methyl m-isobutyrylbenzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl m-isobutyrylbenzoate
• 英文别名: methyl 3-(2-methylpropanoyl)benzoate
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: SKKDCFOCMISBFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  methyl m-isobutyrylbenzoate 在 phenyltrimethylammonium tribromide 作用下， 以 四氢呋喃 为溶剂， 生成 3'-methoxycarbonyl-2-bromo-2-methylpropiophenone
  参考文献：
  名称：

  EP1428817

  摘要：

  公开号：
• 作为产物：
  描述：

  间碘苯腈 在 copper(I) cyanide di(lithium chloride) 、 硫酸 、 bromo-[5-(bromomagnesio)pentyl]magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 methyl m-isobutyrylbenzoate
  参考文献：
  名称：

  苯并吡喃酮类化合物、其制备方法及其应用

  摘要：

  本发明提供了一种式(I)所示的苯并吡喃酮类化合物或其药学上可接受的盐、制备方法和用途。该类化合物对POLRMT具有良好抑制作用，可用于治疗和/或预防由POLRMT介导的癌症等疾病。

  公开号：

  WO2024114765A1

文献信息

• Synthesis of α-indanones via intramolecular direct arylation with cyclopropanol-derived homoenolates
  作者：David Rosa、Arturo Orellana

  DOI：10.1039/c2cc16758a

  日期：——

  A palladium-catalysed, tandem cyclopropanol rearrangement and direct arylation approach for the synthesis of 1-indanones is reported. The reaction is generally high yielding, uses oxygen as the terminal oxidant and tolerates a range of functional groups on the aryl ring.

  报告采用钯催化的串联环丙醇重排和直接芳基化方法合成 1-茚酮。该反应一般产率较高，使用氧作为末端氧化剂，并可容忍芳基环上的一系列官能团。
• 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。