5-((2-(Benzo[d][1,3]dioxol-5-yl)ethyl)sulfonyl)-1-phenyl-1H-tetrazole | 1240725-37-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-((2-(Benzo[d][1,3]dioxol-5-yl)ethyl)sulfonyl)-1-phenyl-1H-tetrazole
• 英文别名: 5-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]-1-phenyltetrazole
• CAS: 1240725-37-4
• 化学式: C₁₆H₁₄N₄O₄S
• 分子量: 358.4
• InChiKey: VHEQMLBYQXDAOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] A SULPHONYL TETRAZOLE COMPOUND, ITS PREPARATION METHOD AND ITS USE FOR PREPARING LAETISPICINE<br/>[FR] COMPOSÉ DE SULFONYL-TÉTRAZOLE, SA MÉTHODE DE PRÉPARATION ET SON UTILISATION DANS LA PRÉPARATION DE LAETISPICINE
  申请人：SHANGHAI INST MATERIA MEDICA

  公开号：WO2010091540A1

  公开（公告）日：2010-08-19

  A sulphonyl tetrazole compound 7 with the following structure, its preparation method and its use for preparing laetispicine. The said sulphonyl tetrazole compound 7, (1-phenyl-5-(3,4-methylenedioxyphenyl ethyl) sulphonyl tetrazole), is obtained from piperonal as raw material and by steps of Darzens condensation, hydrolysis, decarboxylation, reduction, condensation and oxidation. Laetispicine is prepared from the said compound as raw material, by condensation with 9-carbonyl-2E-4E-nonadienoic acid isobutyramide (compound 14), or by reaction with 5-(tetrahydropyran-2-oxo) n-pentanal (compound 10), deprotection, Swern oxidation, Wittig-Horner reaction, hydrolysis and amidation. As shown in H NMR, C NMR, MS and IR, the laetispicine prepared from the above-said compound is consistent with the laetispicine extracted from natural products.