ortho-dimethylphosphinylmethyleneoxyaniline | 111963-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ortho-dimethylphosphinylmethyleneoxyaniline
• 英文别名: 2-(dimethylphosphinylmethoxy)-phenylamine；2-(Dimethylphosphorylmethoxy)aniline
• CAS: 111963-40-7
• 化学式: C₉H₁₄NO₂P
• 分子量: 199.189
• InChiKey: BTMNGPVVKBVLOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ortho-dimethylphosphinylmethyleneoxyaniline 、 环己基异硫氰酸脂 以 二氯甲烷 为溶剂， 反应 3.0h， 以94%的产率得到1-cyclohexyl-3-[2-(dimethylphosphorylmethoxy)phenyl]thiourea
  参考文献：
  名称：

  (CARBAMOYLAMINOPHENOXYMETHYL)-DIMETHYLPHOSPHINE OXIDES AND CORRESPONDING THIOCARBAMOYL DERIVATIVES

  摘要：

  A group of (carbamoylaminophenoxymethyl)-dimethylphosphine oxides 1-13 and corresponding thiocarbamoyl derivatives 14-26 were prepared via reaction of 2-, 3-and 4-(dimethylphosphinylmethoxy)-phenylamines with isocyanates and isothiocyanates resp. The composition of the new compounds was confirmed by elemental analysis, IR, H-1 and P-31[H-1] MNR spectroscopy.

  DOI：

  10.1080/10426500008043665
• 作为产物：
  描述：

  硝苯酚 在 sodium sulfide 、 potassium carbonate 作用下， 以 水 为溶剂， 反应 14.5h， 生成 ortho-dimethylphosphinylmethyleneoxyaniline
  参考文献：
  名称：

  Matolcsy, Gyoergy; Bauer, Krisztina; Pal, Agnes, Acta Chimica Hungarica, 1986, vol. 123, # 3-4, p. 145 - 154

  摘要：

  DOI：

文献信息

• Vibrational study of new Pt(II) and Pd(II) complexes with functionalized nitrogen-containing tertiary phosphine oxides. Ab initio study of ortho-, meta- and para-dimethylphosphinylmethyleneoxyaniline
  作者：N Trendafilova、G Bauer、I Georgieva、T Tosheva、S Varbanov

  DOI：10.1016/s1386-1425(02)00163-4

  日期：2003.1

  Vibrational study of new Pt(II) and Pd(II) complexes of functionalized nitrogen-containing tertiary phosphine oxides, namely ortho-, meta- and para-dimethylphosphinylmethyleneoxyaniline (o-, m- and p-dpmoa), (CH3)2P(O)CH2OC6H4NH2, have been presented. Geometry optimization of the ligands was performed at HF/6-31G* and B3LYP/6-31G* levels of the theory. Harmonic frequencies were calculated at HF/6-31G*

  新型功能化含氮叔膦氧化物Pt（II）和Pd（II）配合物的振动研究，即邻，间和对二甲基膦基亚甲基氧基苯胺（o-，间-和对-dpmoa），（CH3）2P（ O）CH 2 OC 6 H 4 NH 2已经提出。在理论的HF / 6-31G *和B3LYP / 6-31G *水平上进行配体的几何优化。谐波频率是根据HF / 6-31G *优化的几何形状计算得出的。o-，间-和对-dpmoa配体的相对气相和液相（H2O和CH3CN）碱度已通过Onsager反应场模型在STO-3G水平上从头算确定。根据振动研究，
• Varbanov; Tosheva; Russeva, Phosphorus, Sulfur and Silicon and the Related Elements, 1997, vol. 127, p. 27 - 37
  作者：Varbanov、Tosheva、Russeva

  DOI：——

  日期：——
• MATOLCSY G.; BAUER K.; PAL A.; UJVARY I.; BELAI I.; GERLEI A.; KARDOS M.;+, ACTA CHIM. HUNG., 123,(1986) N 3-4, 145-154
  作者：MATOLCSY G.、 BAUER K.、 PAL A.、 UJVARY I.、 BELAI I.、 GERLEI A.、 KARDOS M.、+

  DOI：——

  日期：——
• Matolcsy, Gyoergy; Bauer, Krisztina; Pal, Agnes, Acta Chimica Hungarica, 1986, vol. 123, # 3-4, p. 145 - 154
  作者：Matolcsy, Gyoergy、Bauer, Krisztina、Pal, Agnes、Ujvary, Istvan、Belai, Ivan、et al.

  DOI：——

  日期：——
• (CARBAMOYLAMINOPHENOXYMETHYL)-DIMETHYLPHOSPHINE OXIDES AND CORRESPONDING THIOCARBAMOYL DERIVATIVES
  作者：Sabi Varbanov、Victoria Lachkova、Gerhard Hägele、Tania Tosheva、Ralf Olschner

  DOI：10.1080/10426500008043665

  日期：2000.4.1

  A group of (carbamoylaminophenoxymethyl)-dimethylphosphine oxides 1-13 and corresponding thiocarbamoyl derivatives 14-26 were prepared via reaction of 2-, 3-and 4-(dimethylphosphinylmethoxy)-phenylamines with isocyanates and isothiocyanates resp. The composition of the new compounds was confirmed by elemental analysis, IR, H-1 and P-31[H-1] MNR spectroscopy.