4-methyl-7,8,9,10-tetrahydro-8,9-epoxybenzocoumarin | 207507-83-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 4-methyl-7,8,9,10-tetrahydro-8,9-epoxybenzocoumarin
• 英文别名: 4-methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[h]coumarin；4-methyl-7,10-dihydro-7,8-benzocoumarin-8,9-oxide；6-Methyl-3,13-dioxatetracyclo[8.5.0.02,7.012,14]pentadeca-1(10),2(7),5,8-tetraen-4-one
• CAS: 207507-83-3
• 化学式: C₁₄H₁₂O₃
• 分子量: 228.247
• InChiKey: LBIGLGAMORDQMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-7,8,9,10-tetrahydro-8,9-epoxybenzocoumarin 在 aluminum oxide 、 sodium hydroxide 、 四丁基硫酸氢铵 、 对甲苯磺酰氯 作用下， 以 水 、 苯 为溶剂， 反应 0.5h， 生成 N-(2-bromo-4-methylphenyl)-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin-8,9-aziridine
  参考文献：
  名称：

  A FACILE SYNTHESIS OF N-ARYL AZIRIDINES

  摘要：

  Reaction of N-aryl-beta -amino alcohols with p-toluenesulphonyl chloride under phase transfer catalytic condition gave the corresponding N-aryl aziridines in good yields, whereas N-alkyl-beta -amino alcohol [for e.g., L-ephedrine] gave the corresponding N-tosyl derivative as the major product, along with the expected N-alkyl aziridines in lower yield.

  DOI：

  10.1081/scc-100103544
• 作为产物：
  描述：

  5,8-二氢-1-萘酚 在 间氯过氧苯甲酸 、 三氯氧磷 作用下， 以 氯仿 、 苯 为溶剂， 反应 12.0h， 生成 4-methyl-7,8,9,10-tetrahydro-8,9-epoxybenzocoumarin
  参考文献：
  名称：

  A FACILE SYNTHESIS OF N-ARYL AZIRIDINES

  摘要：

  Reaction of N-aryl-beta -amino alcohols with p-toluenesulphonyl chloride under phase transfer catalytic condition gave the corresponding N-aryl aziridines in good yields, whereas N-alkyl-beta -amino alcohol [for e.g., L-ephedrine] gave the corresponding N-tosyl derivative as the major product, along with the expected N-alkyl aziridines in lower yield.

  DOI：

  10.1081/scc-100103544

文献信息

• 8-Hydroxy-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin
  作者：S. Kumar、K. Chinnakali、K. Sivakumar、H.-K. Fun、K. Sriraghavan

  DOI：10.1107/s0108270197011451

  日期：1997.12.15

  In the title molecule (alternative name: 8-hydroxy-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-2H-benzo- [f]chromen-2-one; C20H18O3S), the tetrahydrobenzene ring is in a half-chair conformation. The planes of the coumarin and thiophenyl rings form a dihedral angle of 126.31 (5)degrees. The crystal structure is stabilized by O-H ... O hydrogen bonds involving carbonyl and hydroxy O atoms.
• 4-Methyl-7,7a,13a,14-tetrahydrobenzo[<i>e</i>]pyrano[2',3':5,6]naphtho[2,3-<i>b</i>][1,4]dioxin-2-one
  作者：K. Chinnakali、H.-K. Fun、K. Sriraghavan、V. T. Ramakrishnan、I. A. Razak

  DOI：10.1107/s0108270198010427

  日期：1999.1.15

  In the title molecule, C20H16O4, the coumarin moiety is planar and both the tetrahydrobenzene and the dioxin rings adopt a half-chair conformation. The mean planes through the tetrahydrobenzene and dioxin rings form a dihedral angle of 72.8 (1)degrees.
• 2,2-Bis(2-methoxyphenyl)-4-methyl-8,9-epoxy-7,8,9,10-tetrahydro-2<i>H</i>-benzo[<i>h</i>]chromene
  作者：K. Chinnakali、H.-K. Fun、K. Sriraghavan、V. T. Ramakrishnan

  DOI：10.1107/s0108270198018071

  日期：1999.5.15

  In each independent molecule of the title compound, C28H26O4, the pyran ring adopts a half-chair conformation and the tetrahydrobenzene ring is in a flattened-boat conformation. The phenyl rings are orthogonal to each other; in one of the enantiomers, they form dihedral angles of 74.66(6) and 54.38(6)degrees with the pyran ring, while in the other enantiomer, these angles are 76.42 (6) and 54.15(5)degrees.
• A FACILE SYNTHESIS OF N-ARYL AZIRIDINES
  作者：Kamaraj Sriraghavan、Vayalakkavoor T. Ramakrishnan

  DOI：10.1081/scc-100103544

  日期：2001.1

  Reaction of N-aryl-beta -amino alcohols with p-toluenesulphonyl chloride under phase transfer catalytic condition gave the corresponding N-aryl aziridines in good yields, whereas N-alkyl-beta -amino alcohol [for e.g., L-ephedrine] gave the corresponding N-tosyl derivative as the major product, along with the expected N-alkyl aziridines in lower yield.