bis-(2-chloro-acetylamino)-phenyl-methane | 5997-80-8

• 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: bis-(2-chloro-acetylamino)-phenyl-methane
• 英文别名: Bis-(2-chlor-acetylamino)-phenyl-methan；α, α-bis-chloroacetamido toluene；Benzyliden-bis-chloracetamid；2-chloro-N-[[(2-chloroacetyl)amino]-phenyl-methyl]acetamide；2-chloro-N-[[(2-chloroacetyl)amino]-phenylmethyl]acetamide
• CAS: 5997-80-8
• 化学式: C₁₁H₁₂Cl₂N₂O₂
• 分子量: 275.134
• InChiKey: OPWPTWUDQPYQEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  bis-(2-chloro-acetylamino)-phenyl-methane 、 亚磷酸三乙酯 反应 3.0h， 生成 2-diethoxyphosphoryl-N-[[(2-diethoxyphosphorylacetyl)amino]-phenylmethyl]acetamide
  参考文献：
  名称：

  ARYLIDENE BIS-(N-DIETHYL PHOSPHONOACETAMIDES). SYNTHESIS AND NMR CHARACTERIZATION

  摘要：

  Arylidene bis-(N-diethylphosphonoacetamides) have been prepered in good yield. All compounds are white crystalline powders soluble in low boiling point organic solvents. Characterization by H-1-NMR technique indicates that the methyne proton appears in the aromatic region of the spectrum and the two methylene diastereotopic protons (CH2P) give rise to a complex ABX system due to the coupling with the phosphorus atom, thus this pattern is very diagnostic for this tipe of compounds. The heteronuclear coupling was also investigated by H-1{P-31}-NMR spectroscopy.

  DOI：

  10.1080/10426500008046616
• 作为产物：
  描述：

  苯甲醛 、 氯乙酰胺 在 乙酸酐 作用下， 生成 bis-(2-chloro-acetylamino)-phenyl-methane
  参考文献：
  名称：

  Schraufstaetter,E.; Goennert,R., Zeitschrift fur Naturforschung. Teil B: Chemie, Biochemie, Biophysik, Biologie, 1962, vol. 17, p. 505 - 516

  摘要：

  DOI：

文献信息

• Hellmann et al., Justus Liebigs Annalen der Chemie, 1959, vol. 626, p. 35,45
  作者：Hellmann et al.

  DOI：——

  日期：——
• Schraufstaetter,E.; Goennert,R., Zeitschrift fur Naturforschung. Teil B: Chemie, Biochemie, Biophysik, Biologie, 1962, vol. 17, p. 505 - 516
  作者：Schraufstaetter,E.、Goennert,R.

  DOI：——

  日期：——
• ARYLIDENE BIS-(N-DIETHYL PHOSPHONOACETAMIDES). SYNTHESIS AND NMR CHARACTERIZATION
  作者：G. A. Consiglio、S. Failla、P. Finocchiaro、L. Siracusa

  DOI：10.1080/10426500008046616

  日期：2000.8.1

  Arylidene bis-(N-diethylphosphonoacetamides) have been prepered in good yield. All compounds are white crystalline powders soluble in low boiling point organic solvents. Characterization by H-1-NMR technique indicates that the methyne proton appears in the aromatic region of the spectrum and the two methylene diastereotopic protons (CH2P) give rise to a complex ABX system due to the coupling with the phosphorus atom, thus this pattern is very diagnostic for this tipe of compounds. The heteronuclear coupling was also investigated by H-1P-31}-NMR spectroscopy.