3,4,6-trimethyl-5-((4-methylphenyl)diazenyl)-2,2-diphenyl-1,3,2λ4-oxazaborine | 885700-83-4

• 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: 3,4,6-trimethyl-5-((4-methylphenyl)diazenyl)-2,2-diphenyl-1,3,2λ4-oxazaborine
• 英文别名: (4-Methylphenyl)-(3,4,6-trimethyl-2,2-diphenyl-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-dien-5-yl)diazene；(4-methylphenyl)-(3,4,6-trimethyl-2,2-diphenyl-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-dien-5-yl)diazene
• CAS: 885700-83-4
• 化学式: C₂₅H₂₆BN₃O
• 分子量: 395.312
• InChiKey: PDEHFZUXWOETJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  37
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(methylamino)-3-((4-methylphenyl)diazenyl)pent-3-en-2-one 、 三苯基硼烷 以 二氯甲烷 为溶剂， 以25%的产率得到3,4,6-trimethyl-5-((4-methylphenyl)diazenyl)-2,2-diphenyl-1,3,2λ4-oxazaborine
  参考文献：
  名称：

  Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ⁴-oxazaborines and Their Rearrangement to 1,2,4,3λ⁴-Triazaborines

  摘要：

  The reaction of substituted benzenediazonium tetraphenylborates with the beta-enaminones derived from pentane-2,4-dione, 1-phenylbutane-1,3-dione, and 1,4-diphenylbutane-1,3-dione with a primary or secondary (N-methyl, N-phenyl) amino group in CH2Cl2 gives 5-(substituted-phenyldiazenyl)-2,2-diphenyl-4,6-disubstituted- 1,3,2 lambda(4)-oxazaborines or 5-(substituted-phenyldiazenyl)-2,2-diphenyl-3,4,6-trisubstituted-1,3,2 lambda(4)- oxazaborines, respectively. The reaction intermediate of these compounds has been identified, and a mechanism for the reaction has been suggested. Substituted 1,3,2 lambda(4)-oxazaborines gradually rearrange into 1,2,4,3 lambda(4)-triazaborines at temperatures above 100 degrees C.

  DOI：

  10.1021/om051078x

文献信息

• Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ⁴-oxazaborines and Their Rearrangement to 1,2,4,3λ⁴-Triazaborines
  作者：Markéta Pešková、Petr Šimůnek、Valerio Bertolasi、Vladimír Macháček、Antonín Lyčka

  DOI：10.1021/om051078x

  日期：2006.4.1

  The reaction of substituted benzenediazonium tetraphenylborates with the beta-enaminones derived from pentane-2,4-dione, 1-phenylbutane-1,3-dione, and 1,4-diphenylbutane-1,3-dione with a primary or secondary (N-methyl, N-phenyl) amino group in CH2Cl2 gives 5-(substituted-phenyldiazenyl)-2,2-diphenyl-4,6-disubstituted- 1,3,2 lambda(4)-oxazaborines or 5-(substituted-phenyldiazenyl)-2,2-diphenyl-3,4,6-trisubstituted-1,3,2 lambda(4)- oxazaborines, respectively. The reaction intermediate of these compounds has been identified, and a mechanism for the reaction has been suggested. Substituted 1,3,2 lambda(4)-oxazaborines gradually rearrange into 1,2,4,3 lambda(4)-triazaborines at temperatures above 100 degrees C.