5-methylisocoumarin | 131001-99-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 英文名称: 5-methylisocoumarin
• 英文别名: 5-Methylisochromen-1-one
• CAS: 131001-99-5
• 化学式: C₁₀H₈O₂
• 分子量: 160.172
• InChiKey: VQGVFYNTGCMHGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  四氯乙烯 、 5-methylisocoumarin 以 乙腈 为溶剂， 反应 48.0h， 以74%的产率得到2aα,8bα-1,1,2,2-tetrachloro-2,2a-dihydro-8-methyl-1H-cyclobuta[c][2]benzopyran-4-one
  参考文献：
  名称：

  Photocycloaddition of Isocoumarins and Isothiocoumarins to Alkenes

  摘要：

  On irradiation in the presence of tetrachloroethene (TCE), both isocoumarins 3 and isothiocoumarins 4 afford in high yields the cis-fused cycloadducts 8 and 9, while only the oxacycles 3 undergo photocycloaddition to 2,3-dimethylbut-2-ene (TME) to give mixtures of cis- and trans-fused products 10 and 11, respectively, in moderate yields. This higher efficiency in reacting with TCE as compared to TME for compounds 3 and 4 contrasts the behavior of simple cyclic enones, e.g., 5,5-dimethylcyclohex-2-enone (12), which is converted to bicyclooctanones about fifty times faster with TME than with TCE.

  DOI：

  10.1002/1522-2675(20010815)84:8<2373::aid-hlca2373>3.0.co;2-4
• 作为产物：
  描述：

  2-溴-3-甲基苯甲酸甲酯 在 palladium diacetate 、 copper(l) chloride 、 palladium dichloride 盐酸 、 氧气 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 乙二醇二甲醚 、 乙醇 、 乙腈 为溶剂， 50.0~120.0 ℃ 、3.04 MPa 条件下， 反应 50.0h， 生成 5-methylisocoumarin
  参考文献：
  名称：

  Izumi, Taeko; Nishimoto, Yasuhiro; Kohei, Kunihiro, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1419 - 1424

  摘要：

  DOI：

文献信息

• [EN] MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO<br/>[FR] MOLÉCULES PRÉSENTANT CERTAINES UTILITÉS PESTICIDES, ET INTERMÉDIAIRES, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：CORTEVA AGRISCIENCE LLC

  公开号：WO2022132609A1

  公开（公告）日：2022-06-23

  This disclosure relates to compounds having pesticidal utility against pests in phyla Nematoda, Arthropoda, and/or Mollusca, processes to produce such compounds and intermediates used in such processes, compositions containing such compounds, and processes of using such compounds against such pests. These compounds/molecules may be used, for example, as nematicides, acaricides, insecticides, miticides, and/or molluscicides. This document discloses compounds having the following formula (One).

  本公开涉及具有杀虫效用的化合物，可用于杀灭线虫门、节肢动物门和/或软体动物门的害虫，制备此类化合物的过程以及用于此类过程中的中间体，含有此类化合物的组合物以及使用此类化合物对此类害虫进行杀灭的过程。这些化合物/分子可以用作线虫杀剂、螨虫杀剂、杀虫剂、杀螨剂和/或杀软体动物剂。本文披露具有以下式子（一）的化合物。
• Photocycloaddition of Isocoumarins and Isothiocoumarins to Alkenes
  作者：Michael A. Kinder、Lars Meyer、Paul Margaretha

  DOI：10.1002/1522-2675(20010815)84:8<2373::aid-hlca2373>3.0.co;2-4

  日期：2001.8.15

  On irradiation in the presence of tetrachloroethene (TCE), both isocoumarins 3 and isothiocoumarins 4 afford in high yields the cis-fused cycloadducts 8 and 9, while only the oxacycles 3 undergo photocycloaddition to 2,3-dimethylbut-2-ene (TME) to give mixtures of cis- and trans-fused products 10 and 11, respectively, in moderate yields. This higher efficiency in reacting with TCE as compared to TME for compounds 3 and 4 contrasts the behavior of simple cyclic enones, e.g., 5,5-dimethylcyclohex-2-enone (12), which is converted to bicyclooctanones about fifty times faster with TME than with TCE.
• Izumi, Taeko; Nishimoto, Yasuhiro; Kohei, Kunihiro, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1419 - 1424
  作者：Izumi, Taeko、Nishimoto, Yasuhiro、Kohei, Kunihiro、Kasahara, Akira

  DOI：——

  日期：——