2-(4-chlorobenzyl)-5,5-dimethyl-cyclohexane-1,3-dione | 64909-47-3

• 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: 2-(4-chlorobenzyl)-5,5-dimethyl-cyclohexane-1,3-dione
• 英文别名: 2-(4-Chlorobenzyl)-5,5-dimethylcyclohexane-1,3-dione；2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
• CAS: 64909-47-3
• 化学式: C₁₅H₁₇ClO₂
• 分子量: 264.752
• InChiKey: JPIMALIQRUTQHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-chlorobenzyl)-5,5-dimethyl-cyclohexane-1,3-dione 、 异丁醇 生成 2-(4-chlorobenzyl)-3-(2-methyl-propoxy)-5,5-dimethylcyclohex-2-en-1-one
  参考文献：
  名称：

  BRINER, PAUL HOWARD

  摘要：

  DOI：
• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 4-氯氯苄 生成 2-(4-chlorobenzyl)-5,5-dimethyl-cyclohexane-1,3-dione
  参考文献：
  名称：

  BRINER, PAUL HOWARD

  摘要：

  DOI：

文献信息

• Organocatalytic Sequential One-Pot Double Cascade Asymmetric Synthesis of Wieland−Miescher Ketone Analogues from a Knoevenagel/Hydrogenation/Robinson Annulation Sequence:  Scope and Applications of Organocatalytic Biomimetic Reductions
  作者：Dhevalapally B. Ramachary、Mamillapalli Kishor

  DOI：10.1021/jo070277i

  日期：2007.7.1

  practical and novel organocatalytic chemo- and enantioselective process for the cascade synthesis of highly substituted 2-alkyl-cyclohexane-1,3-diones and Wieland−Miescher (W−M) ketone analogs is presented via reductive alkylation as a key step. First time, we developed the one-step alkylation of dimedone and 1,3-cyclohexanedione with aldehydes and Hantzsch ester through an organocatalytic reductive alkylation

  通过还原烷基化，提出了一种实用且新颖的有机催化化学和对映选择性工艺，用于级联合成高度取代的2-烷基-环己烷-1,3-二酮和Wieland-Miescher（WM）酮类似物，这是关键步骤。首次，我们通过有机催化还原烷基化策略开发了二醛和1,3-环己二酮与醛和Hantzsch酯的一步烷基化。l的直接组合CH酸（二甲酮和1,3-环己烷二酮），醛，汉茨sch酯和甲基乙烯基酮的脯氨酸催化的级联Knoevenagel /加氢和级联的Robinson环氧化反应提供了高官能度的W-M酮类似物，并具有良好的收率。优异的对映选择性。许多还原性烷基化产物直接显示在药物化学中。
• Cyclopentane derivatives
  申请人：Shell Internationale Research Maatschappij B.V.

  公开号：US05006552A1

  公开（公告）日：1991-04-09

  The invention provides cyclopentane derivatives of the general formula ##STR1## in which n represents an integer from 0 to 5, each R represents a halogen atom, nitro, cyano, hydroxyl, alkyl, haloalkyl, alkoxy, haloalkoxy, amino, alkylamino, dialkylamino, alkoxycarbonyl, carboxyl, alkanoyl, alkylthio, alkylsulphinyl, alkylsulphonyl, carbamoyl, alkylamido, cycloalkyl or phenyl group, R.sup.1 and R.sup.2 independently represent a hydrogen atom or an alkyl group, and R.sup.5 represents a hydrogen atom or an alkyl or cycloalkyl group; a process for their preparation; compositions containing such compounds and their use as fungicides. Compounds of formula I are also useful as intermediates in the preparation of certain fungicidally active cyclopentane derivatives.

  本发明提供了通式为##STR1##的环戊烷衍生物，其中n代表0至5的整数，每个R代表卤素原子、硝基、氰基、羟基、烷基、卤代烷基、烷氧基、卤代烷氧基、氨基、烷基氨基、二烷基氨基、烷氧羰基、羧基、烷酰基、烷硫基、烷基亚砜基、烷基磺酰基、氨基甲酰基、烷基酰胺基、环烷基或苯基，R.sup.1和R.sup.2独立地代表氢原子或烷基，R.sup.5代表氢原子或烷基或环烷基；一种其制备方法；含有这种化合物的组合物及其作为杀真菌剂的用途。式I的化合物也是制备某些具有杀真菌活性的环戊烷衍生物的中间体。
• Process for the preparation of cyclopentane derivatives
  申请人：Kureha Kagaku Kogyu Kabushiki Kaisha

  公开号：US05262543A1

  公开（公告）日：1993-11-16

  The present invention discloses a process to produce a compound of the formula (IA): ##STR1## or an acid addition salt or metal complex thereof, in which n represents an integer from 0 to 5; each R represents a halogen atom, or a nitro, cyano, alkyl, haloalkyl or phenyl group; R.sup.1 and R.sup.2 independently represent a hydrogen atom or an alkyl group; and A represents a nitrogen atom or a CH group; which comprises steps of: (1) reacting a compound of the formula (IVA): ##STR2## with a compound of the formula (V): R.sup.3 SO.sub.2 X (V) in which n, R, R.sup.1 and R.sup.2 are as defined above and R.sup.3 represents a C.sub.1-4 alkyl group or a phenyl group each optionally substituted by one or more substituents selected from halogen atoms, nitro, cyano, hydroxyl, C.sub.1-4 alkyl, C.sub.1-4 haloalkyl, C.sub.1-4 alkoxy, C.sub.1-4 haloalkoxy; amino, C.sub.1-4 alkylamino, di-C.sub.1-4 alkylamino, C.sub.1-4 alkoxycarbonyl, carboxyl, C.sub.1-4 alkanoyl, C.sub.1-4 alkylthio, C.sub.1-4 alkylsulphinyl, C.sub.1-4 alkylsulphonyl, carbamoyl, C.sub.1-4 alkylamido, C.sub.3-8 cycloalkyl and phenyl groups and X represents a halogen atom, in the presence of a base to obtain a compound of the formula (IIA); (2) reacting a compound of the formula (IIA): ##STR3## with a compound of the formula (III): ##STR4## in which n, R, R.sup.1, R.sup.2, R.sup.3 and A are as defined above and Q represents a hydrogen or alkali metal atom, in the presence of a base to obtain a compound of the formula (IA), and optionally converting the resulting compound of the formula (IA) into an acid addition salt or metal complex thereof.

  本发明披露了一种制备式(I-A)化合物的方法：##STR1## 或其酸加成盐或金属络合物，其中n表示0至5的整数；每个R表示卤素原子，或者是硝基、氰基、烷基、卤代烷基或苯基；R1和R2分别表示氢原子或烷基；A表示氮原子或CH基。该方法包括以下步骤：(1)将式(IVA)化合物：##STR2## 与式(V)化合物反应：R3SO2X(V)，其中n、R、R1和R2如上所定义，R3表示C1-4烷基或苯基，每个可以选择地被一个或多个取代基所取代，所述取代基被选择自卤素原子、硝基、氰基、羟基、C1-4烷基、C1-4卤代烷基、C1-4烷氧基、C1-4卤代烷氧基、氨基、C1-4烷基氨基、双C1-4烷基氨基、C1-4烷氧羰基、羧基、C1-4酰基、C1-4烷基硫基、C1-4烷基亚磺酰基、C1-4烷基磺酰基、氨基甲酰基、C1-4烷基酰胺基、C3-8环烷基和苯基，X表示卤素原子，存在碱的情况下，获得式(IIA)化合物；(2)将式(IIA)化合物：##STR3## 与式(III)化合物反应：##STR4## 其中n、R、R1、R2、R3和A如上所定义，Q表示氢或碱金属原子，在碱的存在下，获得式(I-A)化合物，并可将所得的式(I-A)化合物转化为其酸加成盐或金属络合物。
• Fungicidal compositions
  申请人：Shell Internationale Research Maatschappij B.V.

  公开号：US05047426A1

  公开（公告）日：1991-09-10

  The invention provides fungicidal compositions which comprise a carrier and, as active ingredient, a compound of the general formula ##STR1##

  该发明提供了杀真菌组合物，其包括载体和作为活性成分的一般式为##STR1##的化合物。
• BRINER, PAUL HOWARD
  作者：BRINER, PAUL HOWARD

  DOI：——

  日期：——