3-p-methoxybenzylidene-2H-1,2-benzothiazine-4(3H)-one-1,1-dioxyde | 144689-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 3-p-methoxybenzylidene-2H-1,2-benzothiazine-4(3H)-one-1,1-dioxyde
• 英文别名: (3Z)-3-[(4-methoxyphenyl)methylidene]-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-one；(3Z)-3-[(4-methoxyphenyl)methylidene]-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-one
• CAS: 144689-01-0
• 化学式: C₁₇H₁₅NO₄S
• 分子量: 329.376
• InChiKey: YIPHMAXESOKCDU-PTNGSMBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  C,N-Diphenylnitrilimine 、 3-p-methoxybenzylidene-2H-1,2-benzothiazine-4(3H)-one-1,1-dioxyde 生成 spiro(1,3-diphenyl-4-p-anisyl-Δ-2-pyrazoline-5:2'-benzothiazine-1'-one) 、 2-benzoyl-3-(4-methoxyphenyl)-4-methyl-1-phenyl-2,3-dihydro-1H-pyrazolo<4,3-c><1,2>benzothiazine 5,5-dioxide
  参考文献：
  名称：

  2-Benzoyl-3-(4-methoxyphenyl)-4-methyl-1-phenyl-2,3-dihydro-1H-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide

  摘要：

  Two molecules of the title compound, C30H25N3O4S, crystallize in the asymmetric unit. The phenyl, benzoyl and methoxyphenyl substituents point alternately up and down with respect to the dihydropyrazolo cycle (in agreement with steric effects). The conformation of the molecule is such that the thiazine cycle has an approximate plane of symmetry passing through the S atom (and the two O atoms), whereas the dihydropyrazolo cycle has a twofold axis passing between the two N atoms.

  DOI：

  10.1107/s0108270193010285
• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 2-methyl-2H-1,2-benzothiazin-4-(3H)-one 1,1-dioxide 在 sodium methylate 、 溶剂黄146 作用下， 生成 3-p-methoxybenzylidene-2H-1,2-benzothiazine-4(3H)-one-1,1-dioxyde
  参考文献：
  名称：

  A Simple Synthesis of (Z) 3-Arylmethylene-2-Methyl 1,2-Benzothiazin-4-(3H)Ones 1,1-Dioxide

  摘要：

  DOI：

  10.1080/00397919208021661

文献信息

• Fathi, Toufik; Ciamala, Kabula; An, Nguyen Dinh, Canadian Journal of Chemistry, 1994, vol. 72, # 6, p. 1424 - 1428
  作者：Fathi, Toufik、Ciamala, Kabula、An, Nguyen Dinh、Vebrel, Joel

  DOI：——

  日期：——
• 2-Benzoyl-3-(4-methoxyphenyl)-4-methyl-1-phenyl-2,3-dihydro-1H-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
  作者：F. Theobald、N. Rodier、C. Aubry、K. Ciamala、Nguyan Dinh An

  DOI：10.1107/s0108270193010285

  日期：1994.5.15

  Two molecules of the title compound, C30H25N3O4S, crystallize in the asymmetric unit. The phenyl, benzoyl and methoxyphenyl substituents point alternately up and down with respect to the dihydropyrazolo cycle (in agreement with steric effects). The conformation of the molecule is such that the thiazine cycle has an approximate plane of symmetry passing through the S atom (and the two O atoms), whereas the dihydropyrazolo cycle has a twofold axis passing between the two N atoms.
• A Simple Synthesis of (Z) 3-Arylmethylene-2-Methyl 1,2-Benzothiazin-4-(3H)Ones 1,1-Dioxide
  作者：Piero Dalla Crocea、Raffaella Ferraccioli、Concetta La Rosa

  DOI：10.1080/00397919208021661

  日期：1992.9