5,5'-dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-methanediyl-bis-pyrazol-3-one | 172038-40-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,5'-dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-methanediyl-bis-pyrazol-3-one
• 英文别名: 5,5'-Dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-methandiyl-bis-pyrazol-3-on；4,4'-Methylidenebis(3-methyl-1-phenyl-5-pyrazolone)；5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1H-pyrazol-3-one
• CAS: 172038-40-3
• 化学式: C₂₁H₂₀N₄O₂
• 分子量: 360.415
• InChiKey: IXVLXYDEWZLQMN-UHFFFAOYSA-N

物化性质

• 熔点：
  220 °C(Solv: methanol (67-56-1))
• 沸点：
  511.2±60.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,5'-dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-methanediyl-bis-pyrazol-3-one 生成 (5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidene)-methane
  参考文献：
  名称：

  Schiedt, Journal fur praktische Chemie (Leipzig 1954), 1941, vol. <2> 157, p. 203,215

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基-2-苯基-1,2-二氢吡唑-3-酮 在 溶剂黄146 、 锌 作用下， 生成 5,5'-dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-methanediyl-bis-pyrazol-3-one
  参考文献：
  名称：

  Schiedt, Journal fur praktische Chemie (Leipzig 1954), 1941, vol. <2> 157, p. 203,215

  摘要：

  DOI：

文献信息

• Hueckel; Bretschneider, Chemische Berichte, 1937, vol. 70, p. 2024
  作者：Hueckel、Bretschneider

  DOI：——

  日期：——
• Selective Neck Dissection for the Treatment of Neck Metastasis From Squamous Cell Carcinoma of the Head and Neck
  作者：Douglas B. Chepeha、Paul T. Hoff、Rodney J. Taylor、Carol R. Bradford、Theodoros N. Teknos、Ramon M. Esclamado

  DOI：10.1097/00005537-200203000-00005

  日期：2002.3

  AbstractObjective Our objective was to determine the proportion of patients disease free in the neck, with the primary site controlled, who have been treated with a selective neck dissection (SND) for squamous cell carcinoma (SCCa) of the upper aerodigestive tract, and who had cervical metastasis less than 3 cm.Study Design A cohort of patients who fit the inclusion/exclusion criteria was identified retrospectively. Then all surviving patients were followed for a minimum of 2 years.Methods A group of 52 patients who had 58 selective neck dissections for cervical metastases from SCCa of the upper aerodigestive tract were identified. The mean age was 56 years (range, 20–85 y), there were 40 males and 12 females, and mean follow‐up was 24.5 months (range, 1–64 mo). Twenty‐six patients had clinically negative (cN0) neck examinations and 26 had clinically positive neck examinations. Postoperative radiation was given for extracapsular spread, greater than 2 positive nodes, T3, T4, or recurrent disease if the patient had not received radiation before surgery. These radiation criteria excluded 18 patients from postoperative radiation treatment.Results Kaplan‐Meier survival analysis showed that the regional control rate with the primary site controlled was 0.94. Six patients developed recurrent neck disease. Three of these 6 patients were surgically salvaged. Four recurrences were in the dissected field and 2 were out of the dissected field (level V).Conclusions With similar indications for radiation therapy, the regional control rate in this cohort is comparable to control rates obtained with modified radical neck dissection.
• Papini; Ridi, Gazzetta Chimica Italiana, 1959, vol. 89, p. 526,537
  作者：Papini、Ridi

  DOI：——

  日期：——
• Stolz, Chemische Berichte, 1895, vol. 28, p. 632
  作者：Stolz

  DOI：——

  日期：——
• Pellizzari, Gazzetta Chimica Italiana, 1889, vol. 19, p. 402
  作者：Pellizzari

  DOI：——

  日期：——