1-(4-chlorobenzyl)-3-methyl-2-oxocyclopentanecarboxylic acid methyl ester

• 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: 1-(4-chlorobenzyl)-3-methyl-2-oxocyclopentanecarboxylic acid methyl ester
• 英文别名: 1-[(4-chlorophenyl)methyl]-3-methyl-2-oxocyclopentanecarboxylic acid methyl ester；methyl 1-[(4-chlorophenyl)methyl]-3-methyl-2-oxocyclopentane-1-carboxylate
• 化学式: C₁₅H₁₇ClO₃
• 分子量: 280.751
• InChiKey: DCLNQHDBQDTZAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 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：

  1-(4-chlorobenzyl)-3-methyl-2-oxocyclopentanecarboxylic acid methyl ester 在 聚合甲醛 、 potassium carbonate 作用下， 以 水 为溶剂， 生成 1-(4-chlorobenzyl)-3-methyl-3-hydroxymethyl-2-oxocyclopentanecarboxylic acid methyl ester
  参考文献：
  名称：

  METHOD FOR MANUFACTURING OXETANE COMPOUND, METHOD FOR MANUFACTURING AZOLYLMETHYLCYCLOPENTANOL COMPOUND, AND INTERMEDIATE COMPOUND

  摘要：

  公开号：

  EP2719693B1
• 作为产物：
  描述：

  钠 、 3-methyl-2-oxo-cyclopentanecarboxylic acid methyl ester 、 4-氯氯苄 以to produce 1-[(4-chlorophenyl)methyl]-3-methyl-2-oxocyclopentanecarboxylic acid methyl ester的产率得到1-(4-chlorobenzyl)-3-methyl-2-oxocyclopentanecarboxylic acid methyl ester
  参考文献：
  名称：

  Process for the preparation of 5-[(4-chlorophenyl)methyl]-2,2-dimethylcyclopentanone

  摘要：

  5-[(4-氯苯基)甲基]-2,2-二甲基环戊酮是通过将1-[(4-氯苯基)甲基]-3-甲基-2-氧代环戊烷羧酸甲酯或1-[(4-氯苯基)甲基]-3-甲基-2-氧代环戊烷羧酸乙酯与氢化钠和甲基卤反应，然后水解所得的1-[(4-氯苯基)甲基]-3,3-二甲基-2-氧代环戊烷羧酸甲酯或1-[(4-氯苯基)甲基]-3,3-二甲基-2-氧代环戊烷羧酸乙酯制得的。该过程提供了5-[(4-氯苯基)甲基]-2,2-二甲基环戊酮，这是一种农业或园艺杀菌剂，例如Metconazole的重要中间体。

  公开号：

  US07166750B1

文献信息

• Process for the producing of alkylcyclopentanone derivatives
  申请人：Kureha Kagaku Kogyo Kabushiki Kaisha

  公开号：US05681979A1

  公开（公告）日：1997-10-28

  The present invention provides a process for producing alkylcyclopentanone derivatives of formula (1) by reacting alkyl cyclopentanone derivatives of formula (2) and alkyl halides of formula (3) in an organic solvent in the presence of molecular sieves and an alkaline metal hydroxide: ##STR1## wherein R.sup.1 is C.sub.1 -C.sub.4 alkyl group; R.sup.2 is hydrogen atom or C.sub.1 -C.sub.5 alkyl group; R.sup.3 is C.sub.1 -C.sub.5 alkyl group; Y is halogen atom, C.sub.1 -C.sub.5 alkyl group, C.sub.1 -C.sub.5 haloalkyl group, phenyl group, cyano group or nitro group; n is an integer from 0 to 5; when n is 2 or greater, Y's may be identical or different; R.sup.3 in formula (3) is the same as R.sup.3 in formula (1); and a process for preparing alkylcyclopentanone derivatives of formula (5) by reacting cyclopentanone derivatives of formula (4) and alkyl halides of formula (6) in an organic solvent in the presence of molecular sieves and an alkaline metal hydroxide: ##STR2## wherein R.sup.1 is C.sub.1 -C.sub.4 alkyl group; R.sup.4 is hydrogen atom or C.sub.1 -C.sub.5 alkyl group; R.sup.5 is C.sub.1 -C.sub.5 alkyl group; R.sup.k is either R.sup.4 or R.sup.5 ; Y is halogen atom, C.sub.1 -C.sub.5 alkyl group, C.sub.1 -C.sub.5 haloalkyl group, phenyl group, cyano group or nitro group; n is an integer from 0 to 5; when n is 2 or greater, Y's may be identical or different.

  本发明提供了一种生产烷基环戊酮衍生物的方法，通过在有机溶剂中，在分子筛和碱性金属氢氧化物的存在下，将烷基环戊酮衍生物和烷基卤化物反应而得到以下化学式（1）的烷基环戊酮衍生物：其中R.sup.1是C.sub.1-C.sub.4烷基基团；R.sup.2是氢原子或C.sub.1-C.sub.5烷基基团；R.sup.3是C.sub.1-C.sub.5烷基基团；Y是卤素原子，C.sub.1-C.sub.5烷基基团，C.sub.1-C.sub.5卤代烷基基团，苯基，氰基或硝基；n是从0到5的整数；当n为2或更大时，Y可能相同也可能不同；化学式（3）中的R.sup.3与化学式（1）中的R.sup.3相同；以及通过在有机溶剂中，在分子筛和碱性金属氢氧化物的存在下，将环戊酮衍生物和烷基卤化物反应而得到以下化学式（5）的烷基环戊酮衍生物的制备方法：其中R.sup.1是C.sub.1-C.sub.4烷基基团；R.sup.4是氢原子或C.sub.1-C.sub.5烷基基团；R.sup.5是C.sub.1-C.sub.5烷基基团；R.sup.k是R.sup.4或R.sup.5；Y是卤素原子，C.sub.1-C.sub.5烷基基团，C.sub.1-C.sub.5卤代烷基基团，苯基，氰基或硝基；n是从0到5的整数；当n为2或更大时，Y可能相同也可能不同。
• [EN] AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS<br/>[FR] DÉRIVÉS D'AZOLE, LEURS PROCÉDÉS DE PRODUCTION, LEUR INTERMÉDIAIRE, AGENTS À USAGE AGRICOLE ET HORTICOLE
  申请人：KUREHA CORP

  公开号：WO2011070771A1

  公开（公告）日：2011-06-16

  An azole derivative according to the invention is represented by Formula (I), wherein each of Ra and Rb denotes a hydrogen atom, or a C1-C6 alkyl group, a C2-C6 alkenyl group or a C2-C6 alkynyl group; Ra and Rb may be substituted with Xa or Xb which is a halogen atom; each of na and nb denotes 0 or the number of Xa- or Xb-substituted hydrogen atoms among the hydrogen atoms in Ra or Rb; each Y denotes a halogen atom, a C1-C4 alkyl group, a C1-C4 haloalkyl group, a C1-C4 alkoxy group, a C1-C4 haloalkoxy group, a phenyl group, a cyano group or a nitro group; m denotes 0 to 5; and A denotes a nitrogen atom or a methyne group. As a result, an azole derivative contained as an active ingredient in an agro-horticultural agent having an excellent controlling effect on diseases can be provided.

  根据本发明，唑类衍生物的表示式为（I），其中Ra和Rb中的每一个表示一个氢原子，或者一个C1-C6烷基基团，一个C2-C6烯基基团或一个C2-C6炔基基团；Ra和Rb可以用Xa或Xb取代，Xa或Xb是卤素原子；na和nb中的每一个表示0或者Ra或Rb中的氢原子中被Xa或Xb取代的氢原子的数量；每个Y表示一个卤素原子，一个C1-C4烷基基团，一个C1-C4卤代烷基基团，一个C1-C4烷氧基基团，一个C1-C4卤代烷氧基基团，一个苯基，一个氰基或一个硝基；m表示0到5；A表示一个氮原子或一个甲基基团。因此，可以提供作为农业园艺剂中活性成分的唑类衍生物，具有对疾病具有良好控制效果的特点。
• TRIAZOLE COMPOUND AND USE THEREOF
  申请人：Miyake Taiji

  公开号：US20140094362A1

  公开（公告）日：2014-04-03

  In order to provide a compound that shows a strong effect on controlling a plant disease, a triazole compound of the present invention (i) is a compound in which —OH group, —R 2 group, and CH 2 —Ar group are bonded in cis configuration with a cyclopentane, (ii) is (−)-enantiomer or (+) enantiomer, and (iii) is represented by Formula (I): (wherein R 1 represents an alkyl group; R 2 represents a haloalkyl group; and Ar represents a substituted/unsubstituted aromatic hydrocarbon group or a substituted/unsubstituted aromatic heterocyclic group.

  为了提供一种对植物病害控制效果强的化合物，本发明的三唑化合物(i)是一种化合物，其中—OH基团、—R2基团和CH2—Ar基团以顺式构型与环戊烷结合，(ii)是(−)-对映体或(+)对映体，(iii)由以下式表示：(其中R1代表烷基；R2代表卤代烷基；Ar代表取代/未取代芳香烃基或取代/未取代芳香杂环基。
• Azole derivatives and agricultural and horticultural chemical
  申请人：Kureha Kagaku Kogyo Kabushiki Kaisha

  公开号：US04938792A1

  公开（公告）日：1990-07-03

  Disclosed herein are an azole derivative represented by the formula(I): ##STR1## wherein R.sup.1 and R.sup.2 respectively represent a (C.sub.1 -C.sub.5) alkyl group or a hydrogen atom; X represents a halogen atom, a (C.sub.1 -C.sub.5) alkyl group or a phenyl group; n represents an integer of from 0 to 2 and A represents a nitrogen atom or a CH, provided that R.sup.1 is not a hydrogen atom when R.sup.2 is a hydrogen atom, a process for producing the azole derivative represented by the formula(I), and an agricultural and horticultural composition containing the azole derivative represented by the formula(I).

  本文揭示了一种由以下公式(I)表示的唑类衍生物：其中R.sup.1和R.sup.2分别表示(C.sub.1 -C.sub.5)烷基或氢原子；X表示卤原子，(C.sub.1 -C.sub.5)烷基或苯基；n表示0到2的整数，A表示氮原子或CH，前提是当R.sup.2为氢原子时，R.sup.1不是氢原子；一种生产由公式(I)表示的唑类衍生物的方法，以及含有由公式(I)表示的唑类衍生物的农业和园艺组合物。
• METHOD FOR PRODUCING CYCLOPENTANONE COMPOUND, AND INTERMEDIATE COMPOUND
  申请人：Kanno Hisashi

  公开号：US20140107372A1

  公开（公告）日：2014-04-17

  In order to provide a novel method for producing a cyclopentanone compound, the present invention is a method for producing a cyclopentanone compound represented by the formula (I). The method includes the steps of: substituting the group represented by Y by a hydrogen atom by allowing a compound represented by the formula (III) or an intermediate compound obtained from the compound represented by the formula (III) to react with a catalyst or a halogenating agent; and substituting, by hydrogen atoms, (i) the group or the atom represented by Z 1 and (ii) the group or the atom represented by Z 2 , by reducing the compound represented by the formula (III) or the intermediate compound obtained from the compound represented by the formula (III).

  为了提供一种新颖的环戊酮化合物生产方法，本发明提供了一种生产由式(I)表示的环戊酮化合物的方法。该方法包括以下步骤：通过让式(III)表示的化合物或由式(III)表示的化合物得到的中间体与催化剂或卤化剂反应，将由Y表示的基团取代为氢原子；通过还原式(III)表示的化合物或由式(III)表示的化合物得到的中间体，将(i)由Z1表示的基团或原子和(ii)由Z2表示的基团或原子取代为氢原子。