3,4-benzimidazole-5,6-benzo-2-dimethylamino-1,3,2-oxazaphosphorinane | 769124-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 3,4-benzimidazole-5,6-benzo-2-dimethylamino-1,3,2-oxazaphosphorinane
• 英文别名: Diptybdmlwnteh-uhfffaoysa-；N,N-dimethylbenzimidazolo[1,2-c][1,3,2]benzoxazaphosphinin-6-amine
• CAS: 769124-01-8
• 化学式: C₁₅H₁₄N₃OP
• 分子量: 283.269
• InChiKey: DIPTYBDMLWNTEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  30.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-benzimidazole-5,6-benzo-2-dimethylamino-1,3,2-oxazaphosphorinane 在 selenium 作用下， 以 甲苯 为溶剂， 反应 8.0h， 以100%的产率得到3,4-benzimidazole-5,6-benzo-2-dimethylamino-2-seleno-1,3,2-oxazaphosphorinane
  参考文献：
  名称：

  2-(2-羟基苯基)-1H-苯并咪唑的磷杂环

  摘要：

  AbstractSixteen different P(III) and P(V) heterocycles derived from 2‐(2‐hydroxyphenyl)‐1H‐benzimidazole (1) are reported. In these heterocycles the phosphorus atom is part of a six‐membered unsaturated ring. They were mainly studied by multinuclear NMR. The X‐ray diffraction of 3,4‐ benzimidazole‐5,6‐benzo‐2‐dimethylamino‐2‐seleno‐ 1,3,2‐oxazaphosphorinane is reported. Phosphoranes derived from 1 and 3,5‐di‐tert‐butylcatechol, and bearing Cl, NMe2, or phenyl as substituent at phosphorus are presented. © 2004 Wiley Periodicals, Inc. Heteroatom Chem 15:307–320, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20021

  DOI：

  10.1002/hc.20021
• 作为产物：
  描述：

  2-(2-羟基苯基)-1H-苯并咪唑 、 三(二甲胺基)膦 以 甲苯 为溶剂， 反应 2.0h， 以95%的产率得到3,4-benzimidazole-5,6-benzo-2-dimethylamino-1,3,2-oxazaphosphorinane
  参考文献：
  名称：

  2-(2-羟基苯基)-1H-苯并咪唑的磷杂环

  摘要：

  AbstractSixteen different P(III) and P(V) heterocycles derived from 2‐(2‐hydroxyphenyl)‐1H‐benzimidazole (1) are reported. In these heterocycles the phosphorus atom is part of a six‐membered unsaturated ring. They were mainly studied by multinuclear NMR. The X‐ray diffraction of 3,4‐ benzimidazole‐5,6‐benzo‐2‐dimethylamino‐2‐seleno‐ 1,3,2‐oxazaphosphorinane is reported. Phosphoranes derived from 1 and 3,5‐di‐tert‐butylcatechol, and bearing Cl, NMe2, or phenyl as substituent at phosphorus are presented. © 2004 Wiley Periodicals, Inc. Heteroatom Chem 15:307–320, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20021

  DOI：

  10.1002/hc.20021

文献信息

• Phosphorus heterocycles from 2-(2-hydroxyphenyl)-1<i>H</i>-benzimidazole
  作者：Julio Hernández-Díaz、Angelina Flores-Parra、Rosalinda Contreras

  DOI：10.1002/hc.20021

  日期：——

  AbstractSixteen different P(III) and P(V) heterocycles derived from 2‐(2‐hydroxyphenyl)‐1H‐benzimidazole (1) are reported. In these heterocycles the phosphorus atom is part of a six‐membered unsaturated ring. They were mainly studied by multinuclear NMR. The X‐ray diffraction of 3,4‐ benzimidazole‐5,6‐benzo‐2‐dimethylamino‐2‐seleno‐ 1,3,2‐oxazaphosphorinane is reported. Phosphoranes derived from 1 and 3,5‐di‐tert‐butylcatechol, and bearing Cl, NMe2, or phenyl as substituent at phosphorus are presented. © 2004 Wiley Periodicals, Inc. Heteroatom Chem 15:307–320, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20021

表征谱图