2-benzoylcyclohex-2-en-1-one | 81039-06-7

• 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-benzoylcyclohex-2-en-1-one
• 英文别名: 1-Benzoyl-cyclohexen-5-2-on；2-benzoylcyclohex-2-enone；Benzoylcyclohexenone
• CAS: 81039-06-7
• 化学式: C₁₃H₁₂O₂
• 分子量: 200.237
• InChiKey: LCYRHXXFNMLIEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 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-benzoylcyclohex-2-en-1-one 、 羟胺 以28%的产率得到
  参考文献：
  名称：

  TAMURA, YASUMITSU;INOUE, MINAKO;WADA, AKIMORI;FUJITA, MASANOBU;KITA, YASU+, CHEM. AND PHARM. BULL., 1981, 29, N 11, 3226-3231

  摘要：

  DOI：
• 作为产物：
  描述：

  2-[羟基(苯基)甲基]环己-2-烯-1-酮 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到2-benzoylcyclohex-2-en-1-one
  参考文献：
  名称：

  Asymmetric conjugate additions to 1,1′-diactivated cyclic enones—a comparative study

  摘要：

  A study of copper-phosphoramidite-catalysed ZnR2 and AlR3 additions to 1,1'-dicarbonyl-activated cyclic Michael acceptors has revealed high enantioselectivities for AlR3 (R = Me, Et) 1,4-addition to a range of 3-acylcoumarins (85-98% ee, trans:cis similar to 90:10) using commercial OF readily available ligands. Large substituents at the 6-position, and to some extent at the 5-position, of the coumarin are less well tolerated, nor is truncation of the coumarin motif to a comparable 2-acylcyclohexenone (ee values up to 78%). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.07.006

文献信息

• Asymmetric Domino Reaction of α,β-Unsaturated Aldehydes and α-Acyl α,β-Unsaturated Cyclic Ketones Catalyzed by Diphenylprolinol Silyl Ether
  作者：Yujiro Hayashi、Yurina Suga、Nariyoshi Umekubo

  DOI：10.1021/acs.orglett.0c03190

  日期：2020.11.6

  domino reaction combining vinylogous Michael reaction, hydration of aldehyde, and oxy-Michael reaction proceeds with α,β-unsaturated aldehydes and α-acyl α,β-unsaturated cyclic ketones in the presence of diphenylprolinol silyl ether to afford tetrahydrochromane derivatives with excellent enantioselectivity. After the domino reaction, addition of Wittig reagent and acid in the same reaction vessel promoted

  在二苯基脯氨醇甲硅烷基醚存在下，将乙烯基迈克尔反应，醛的水合和氧迈克尔反应与α，β-不饱和醛和α-酰基α，β-不饱和环酮结合在一起的不对称多米诺反应进行，得到具有优异性能的四氢苯并二氢吡喃衍生物。对映选择性。在多米诺反应之后，在同一反应容器中加入维蒂希试剂和酸促进了第二个多米诺反应，该反应包括逆向氧-迈克尔反应，异构化和维蒂希反应，从而提供具有优异对映选择性的手性官能化环状1,3-二烯衍生物。总的来说，一锅法进行六个反应步骤。
• 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides
  申请人：——

  公开号：US20030199699A1

  公开（公告）日：2003-10-23

  The invention relates to 3-(4,5-dihydroisoxazole-5-yl)benzoylcyclohexenones of the general formula (I), wherein the variables have the following meanings: R 1 , R 2 represents hydrogen, nitro, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylthio, haloalkylthio, alkylsulfinyl, haloalkylsulfinyl, alkysulfonyl or C 1 -C 6 haloalkylsulfonyl; R 3 represents hydrogen, halogen or alkyl; R 4 represents hydrogen or alkyl; R 5 , R 6 represents hydrogen, halogen, cyano, nitro, alkyl, alkoxy, alkylthio, dialkylamino, phenyl, benzyl or carbonyl, wherein the 7 last residues can be substituted; R 11 represents optionally substituted cyclohexenone that is linked in the 2 position and that carries a hydroxy residue or derivatives thereof in the 1 position. The invention further relates to the agriculturally useful salts thereof, to methods for producing the 3-(4,5-dihydroisoxazole-5-yl)benzoylcyclohexenones, to agents that contain the inventive compound, and to the use of said derivatives or agents containing them for controlling undesired plants.

  该发明涉及通式（I）的3-(4,5-二氢异噁唑-5-基)苯甲酰环己烯酮，其中变量具有以下含义：R1，R2代表氢、硝基、卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷硫基、卤代烷硫基、烷基磺酰基、卤代烷基磺酰基或C1-C6卤代烷基磺酰基；R3代表氢、卤素或烷基；R4代表氢或烷基；R5，R6代表氢、卤素、氰基、硝基、烷基、烷氧基、烷硫基、二烷基氨基、苯基、苄基或羰基，其中最后7个残基可以被取代；R11代表在2位连接的可选择取代的环己烯酮，在1位携带一个羟基残基或其衍生物。该发明还涉及其农业上有用的盐，生产3-(4,5-二氢异噁唑-5-基)苯甲酰环己烯酮的方法，含有该创新化合物的药剂，以及用于控制不受欢迎植物的衍生物或含有它们的药剂的用途。
• Reaction of 2-aroylcyclohex-2-enones with hydroxylamine. Isoxazole ring formation.
  作者：YASUMITSU TAMURA、MINAKO INOUE、AKIMORI WADA、MASANOBU FUJITA、YASUYUKI KITA

  DOI：10.1248/cpb.29.3226

  日期：——

  A novel one-step and high-yield isoxazole formation of 2-aroylcyclohex-2-enones is described. Treatment of such an enone with hydroxylamine under acidic conditions (NH2OH·HCl in EtOH) gave the corresponding 3-aryl-6, 7-dihydro [2, 1] benzisoxazole. Changes in the reaction conditions caused marked changes in the course of the reaction. A possible mechanism for these reactions is put forward.

  描述了一种新颖的一步法高收率异噁唑形成2-芳基环己-2-烯酮的方法。在酸性条件下（乙醇中的NH2OH·HCl）用羟胺处理这种烯酮，得到相应的3-芳基-6,7-二氢[2,1]苯并异噁唑。反应条件的变化导致反应过程发生显著变化。提出了这些反应的可能机理。
• Benzoylcyclohexenone derivatives
  申请人：——

  公开号：US20040235793A1

  公开（公告）日：2004-11-25

  Benzoylcyclohexenone derivatives of the formula I 1 in which the variables R 1 to R 10 and n are as defined in claim 1, and their salts, and their use for controlling harmful plants are described.

  本发明涉及一种式I1的苯甲酰基环己烯酮衍生物，其中变量R1至R10和n如权利要求1所定义，以及它们的盐，以及它们用于控制有害植物的用途。
• Herbicidal 3-( 4,5 dihydroisoxazole- 3 yl) substituted benzoycyclohexenone derivatives
  申请人：——

  公开号：US20030092576A1

  公开（公告）日：2003-05-15

  3-(4,5-Dihydroisoxazol-3-yl)-substituted benzoylcyclohexenone derivatives of the formula I 1 in which the substituents A and R 1 to R 12 are as defined in the description and their agriculturally useful salts are described. The compounds have herbicidal action.

  化合物I1是3-(4,5-二氢异噁唑-3-基)-取代苯甲酰基环己烯酮衍生物，其中取代基A和R1至R12如描述中所定义，以及它们的农业有用盐。这些化合物具有除草作用。